Chemical ID: 6934814

CC(C)(C)CC(=O)Nc1cc(ccc1Cl)Cl
Chemical ID:
6934814
Name [?]:
N-(2,5-dichlorophenyl)-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C12H15Cl2NO/c1-12(2,3)7-11(16)15-10-6-8(13)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,10,5,11,14,9,6,2,16,15,8,7/E:(1,2,3)/rA:16nCCCCCCONCCCCCCClCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15Cl2NO
All Atoms:31
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.54331
Area:437.702
Solvation:-1.39923
Coulombic:-22.2757
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:260.159
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.46
LogP (Chemaxon):3.55

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