Chemical ID: 6677963

CCC(C(=O)Nc1ccc(c(c1)Cl)C)Br
Chemical ID:
6677963
Name [?]:
2-bromo-N-(3-chloro-4-methyl-phenyl)-butanamide
SMILES [?]:
CCC(C(=O)Nc1ccc(c(c1)Cl)C)Br
InChi [?]:
InChI=1/C11H13BrClNO/c1-3-9(12)11(15)14-8-5-4-7(2)10(13)6-8/h4-6,9H,3H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,2,9,8,12,10,7,3,11,4,15,13,6,5/rA:15cCCCCONCCCCCCClCBr/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s11;s10;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13BrClNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.70978
Area:422.169
Solvation:-1.84444
Coulombic:-21.7352
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.584
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):4.02

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