Responsive image

Common name


cyclaniliprole

Formula


C21H17Br2Cl2N5O2

CAS


1031756-98-5

IUPAC name


3-bromo-N-[2-bromo-4-chloro-6-[[(1-cyclopropylethyl)amino]carbonyl]phenyl]-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide

SMILES


CC(C1CC1)NC(=O)c1cc(cc(c1NC(=O)c1cc(Br)nn1c1c(cccn1)Cl)Br)Cl

INCHI


InChI=1S/C21H17Br2Cl2N5O2/c1-10(11-4-5-11)27-20(31)13-7-12(24)8-14(22)18(13)28-21(32)16-9-17(23)29-30(16)19-15(25)3-2-6-26-19/h2-3,6-11H,4-5H2,1H3,(H,27,31)(H,28,32)

Physicochemical Properties

Molecular weight:

602.106

Molar refractivity:

132.773

Num. bonds:

35

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

32

Num. nitrogen atom:

5

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

5

Num. H-bond donors:

3

Complexity of system:

233.11

Lipophilicity

ALogP:

2.113

MLogP:

2.56

XLogP:

4.737

Water Solubility

CLogS:

-6.867

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.229

Photostability

Num. arom. bonds:

17

Num. arom. atoms:

16

Num. arom. rings:

3

Num. rings:

4

Topological

topoRadius:

7

topoDiameter:

14

TopoPSA:

67.23
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.562

QEI:

0.239

Gau:

4.22