Chemical ID: 6376613

c1ccc(c(c1)NC(=O)c2cccc(c2)Cl)Br
Chemical ID:
6376613
Name [?]:
N-(2-bromophenyl)-3-chloro-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cccc(c2)Cl)Br
InChi [?]:
InChI=1/C13H9BrClNO/c14-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(15)8-9/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:2,1,12,11,13,3,6,15,10,14,4,5,8,17,16,7,9/rA:17nCCCCCCNCOCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9BrClNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.44366
Area:437.571
Solvation:-1.49561
Coulombic:-24.1941
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.573
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.41
LogP (Chemaxon):3.76

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