Chemical ID: 7263310

c1cc(ccc1C#N)C(=O)Nc2cc(ccc2N3CCCC3)Cl
Chemical ID:
7263310
Name [?]:
N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-4-cyano-benzamide
SMILES [?]:
c1cc(ccc1C#N)C(=O)Nc2cc(ccc2N3CCCC3)Cl
InChi [?]:
InChI=1/C18H16ClN3O/c19-15-7-8-17(22-9-1-2-10-22)16(11-15)21-18(23)14-5-3-13(12-20)4-6-14/h3-8,11H,1-2,9-10H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:20,21,1,5,2,4,15,16,19,22,13,7,6,3,14,12,17,9,23,8,11,18,10/E:(1,2)(3,4)(5,6)(9,10)/rA:23nCCCCCCCNCONCCCCCCNCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s18s21;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3O
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0677
Area:539.147
Solvation:-2.41094
Coulombic:-32.7339
Bond Count [?]
All:25
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.792
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.05
LogP (Chemaxon):4.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue