Chemical ID: 4238303

CCCC(=O)Nc1ccccc1NC(=O)c2ccccc2Cl
Chemical ID:
4238303
Name [?]:
N-(2-butanoylaminophenyl)-2-chloro-benzamide
SMILES [?]:
CCCC(=O)Nc1ccccc1NC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C17H17ClN2O2/c1-2-7-16(21)19-14-10-5-6-11-15(14)20-17(22)12-8-3-4-9-13(12)18/h3-6,8-11H,2,7H2,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,9,10,3,17,20,8,11,16,21,7,12,4,14,22,6,13,5,15/rA:22nCCCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.89166
Area:519.563
Solvation:-3.0974
Coulombic:-42.9011
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.782
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.69
LogP (Chemaxon):3.97

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