Chemical ID: 3946971

Cc1cccc(c1C)NC(=O)C2(CCCCC2)NC(=O)Nc3cccc(c3)Cl
Chemical ID:
3946971
Name [?]:
1-[(3-chlorophenyl)carbamoylamino]-N-(2,3-dimethylphenyl)-cyclohexane-1-carboxamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)C2(CCCCC2)NC(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C22H26ClN3O2/c1-15-8-6-11-19(16(15)2)25-20(27)22(12-4-3-5-13-22)26-21(28)24-18-10-7-9-17(23)14-18/h6-11,14H,3-5,12-13H2,1-2H3,(H,25,27)(H2,24,26,28)
InChi Info:
AuxInfo=1/1/N:1,8,15,14,16,4,24,3,25,23,5,13,17,27,2,7,26,22,6,10,19,12,28,21,9,18,11,20/E:(4,5)(12,13)/rA:28nCCCCCCCCNCOCCCCCCNCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s12;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8061
Area:596.927
Solvation:-3.1171
Coulombic:-57.6721
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.914
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.52
LogP (Chemaxon):4.8

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