Chemical ID: 5441352

Cc1ccccc1NC(=O)CNC(=O)c2ccccc2Cl
Chemical ID:
5441352
Name [?]:
2-chloro-N-(o-tolylcarbamoylmethyl)benzamide
SMILES [?]:
Cc1ccccc1NC(=O)CNC(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C16H15ClN2O2/c1-11-6-2-5-9-14(11)19-15(20)10-18-16(21)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,17,18,5,3,16,19,6,11,2,15,20,7,9,13,21,12,8,10,14/rA:21nCCCCCCCNCOCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClN2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.7083
Area:501.336
Solvation:-2.82509
Coulombic:-44.0007
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.755
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.01
LogP (Chemaxon):2.36

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