Chemical ID: 6925152

CCC(C)C(=O)NCc1ccccc1Cl
Chemical ID:
6925152
Name [?]:
N-[(2-chlorophenyl)methyl]-2-methyl-butanamide
SMILES [?]:
CCC(C)C(=O)NCc1ccccc1Cl
InChi [?]:
InChI=1/C12H16ClNO/c1-3-9(2)12(15)14-8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,2,11,12,10,13,8,3,9,14,5,15,7,6/rA:15cCCCCCONCCCCCCCCl/rB:s1;s2;s3;s3;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClNO
All Atoms:31
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.72102
Area:414.519
Solvation:-1.64197
Coulombic:-23.2223
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:225.714
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):3.1

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