Chemical ID: 6399962

CCc1cccc(c1)NC(=O)c2cc(ccc2Cl)Cl
Chemical ID:
6399962
Name [?]:
2,5-dichloro-N-(3-ethylphenyl)-benzamide
SMILES [?]:
CCc1cccc(c1)NC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H13Cl2NO/c1-2-10-4-3-5-12(8-10)18-15(19)13-9-11(16)6-7-14(13)17/h3-9H,2H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,15,16,8,13,3,14,7,12,17,10,19,18,9,11/rA:19nCCCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13Cl2NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.98962
Area:482.78
Solvation:-2.07988
Coulombic:-23.2021
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.175
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.14
LogP (Chemaxon):5.0

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