Chemical ID: 5783325

CCc1ccc(cc1)C(=NNC(=O)CNC(=O)c2ccc(cc2)Cl)C
Chemical ID:
5783325
Name [?]:
4-chloro-N-[1-(4-ethylphenyl)ethylideneaminocarbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=NNC(=O)CNC(=O)c2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C19H20ClN3O2/c1-3-14-4-6-15(7-5-14)13(2)22-23-18(24)12-21-19(25)16-8-10-17(20)11-9-16/h4-11H,3,12H2,1-2H3,(H,21,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,4,8,5,7,19,23,20,22,14,9,3,6,18,21,12,16,24,15,10,11,13,17/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCCCNNCOCNCOCCCCCCClC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClN3O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.571
Area:610.652
Solvation:-3.69531
Coulombic:-42.5669
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:357.834
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.83
LogP (Chemaxon):3.18

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