Chemical ID: 6619065

CC(C)CC(=O)Nc1ccc(cc1Cl)N
Chemical ID:
6619065
Name [?]:
N-(4-amino-2-chloro-phenyl)-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)Nc1ccc(cc1Cl)N
InChi [?]:
InChI=1/C11H15ClN2O/c1-7(2)5-11(15)14-10-4-3-8(13)6-9(10)12/h3-4,6-7H,5,13H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,4,12,2,11,13,8,5,14,15,7,6/E:(1,2)/rA:15nCCCCCONCCCCCCClN/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15ClN2O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.55754
Area:409.182
Solvation:-1.67202
Coulombic:-37.4747
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.702
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.99
LogP (Chemaxon):1.81

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