Responsive image

Common name

N-[4-[(2S)-1-phenylpyrrolidin-2-yl]phenyl]formamide

IUPAC name

N-[4-[(2S)-1-phenylpyrrolidin-2-yl]phenyl]formamide

SMILES

c1(ccc(cc1)C2N(CCC2)c3ccccc3)NC=O

Common name

N-[4-[(2S)-1-phenylpyrrolidin-2-yl]phenyl]formamide

IUPAC name

N-[4-[(2S)-1-phenylpyrrolidin-2-yl]phenyl]formamide

SMILES

c1(ccc(cc1)C2N(CCC2)c3ccccc3)NC=O

INCHI

InChI=1S/C17H18N2O/c20-13-18-15-10-8-14(9-11-15)17-7-4-12-19(17)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,17H,4,7,12H2,(H,18,20)/t17-/m0/s1

FORMULA

C17H18N2O

Responsive image

Common name

N-[4-[(2S)-1-phenylpyrrolidin-2-yl]phenyl]formamide

IUPAC name

N-[4-[(2S)-1-phenylpyrrolidin-2-yl]phenyl]formamide





Molecular weight

266.338

clogP

2.831

clogS

-3.769

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

32.34

Number of Rings

3

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01793 Ombitasvir Responsive image Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; For use in combination with paritaprevir, ritonavir and dasabuvir for the treatment of HCV genotype 1, and with paritaprevir and ritonavir for the treatment of HCV genotype 4.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2ze1_ligand_3_11.mol2 2ze1 0.905405 -6.92 c1(ccc(cc1)NC=O)[C@@H]1CCC[N@@H+]1C 15
2ze1_ligand_2_7.mol2 2ze1 0.878378 -6.83 c1(ccc(cc1)NC=O)[C@@H]1CCC[NH2+]1 14
4zxx_ligand_2_22.mol2 4zxx 0.714286 -6.29 c1(cc(ccc1)NC(=O)C)[C@@H]1N(C=O)CCC1 17
4zxx_ligand_3_30.mol2 4zxx 0.706522 -6.52 CC(=O)N1[C@@H](c2cc(ccc2)NC(=O)C)CCC1 18
2ze1_ligand_2_1.mol2 2ze1 0.648649 -6.99 C[N@H+]1[C@H](c2ccccc2)CCC1 12
2qu2_ligand_2_1.mol2 2qu2 0.648649 -6.96 C[N@H+]1[C@H](c2ccccc2)CCC1 12
2qu2_ligand_2_3.mol2 2qu2 0.648649 -6.87 c1(ccccc1)[C@H]1CCC[N@@H+]1C 12
2ze1_ligand_2_5.mol2 2ze1 0.648649 -6.74 c1(ccccc1)[C@@H]1CCC[N@@H+]1C 12
2fl2_ligand_1_1.mol2 2fl2 0.64557 -7.23 c1(ccccc1)[C@H]1N(CCC1)C=O 13
124 , 13