Responsive image

Common name

N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

IUPAC name

N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

SMILES

C(NC(=O)c1ccccc1)C2NCCC2

Common name

N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

IUPAC name

N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

SMILES

C(NC(=O)c1ccccc1)C2NCCC2

INCHI

InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-9-11-7-4-8-13-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m0/s1

FORMULA

C12H16N2O

Responsive image

Common name

N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

IUPAC name

N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide





Molecular weight

204.268

clogP

1.880

clogS

-2.981

Frequency

0.0003





HBond Acceptor

1

HBond Donor

2

Total Polar
Surface Area

41.13

Number of Rings

2

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00271 Sulpiride Responsive image Antidepressive Agents, Second-Generation; Antipsychotic Agents; Dopamine Antagonists; Antidepressive Agents; Nervous System; Psycholeptics; Benzamides; Sulpiride is indicated for the treatment of schizophrenia.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
2p94_ligand_3_4.mol2 2p94 0.904762 -7.00 c1c(cccc1)C(=O)N[C@H]1CCCC[C@H]1NC=O 18
2w17_ligand_2_14.mol2 2w17 0.846154 -7.07 C(=O)(N1CC[C@@H](C1)[NH+](C)C)c1ccccc1 16
4yzm_ligand_2_0.mol2 4yzm 0.820896 -6.46 C1(CCN(CC1)C(=O)c1ccccc1)[N@@H+]1CC[N@H+](CC1)C 21
3f7i_ligand.mol2 3f7i 0.810811 -9.46 O=C(c1cccc2ccccc12)N[C@@H]1[C@@H]2[C@H](CC1)CCN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)[NH2+]C 36
4eh4_ligand.mol2 4eh4 0.803279 -8.09 C1CCCCN1C(=O)c1ccccc1 15
3iw7_ligand_2_5.mol2 3iw7 0.803279 -8.08 CC1CCN(C(=O)c2ccccc2)CC1 15
3iw7_ligand_1_3.mol2 3iw7 0.803279 -7.81 c1cc(ccc1)C(=O)N1CCCCC1 14
4o1b_ligand_3_0.mol2 4o1b 0.803279 -7.67 C(C)C1CCN(C(=O)c2ccccc2)CC1 16
2gvj_ligand_3_0.mol2 2gvj 0.803279 -7.64 C(=O)(N1CCC(CC1)CC)c1ccccc1 16
3g8e_ligand_3_0.mol2 3g8e 0.803279 -7.63 CCC1CCN(C(=O)c2ccccc2)CC1 16
103 , 11