Chemical ID: 6378784

CC(C)C(=O)Nc1c(cccc1Cl)Cl
Chemical ID:
6378784
Name [?]:
N-(2,6-dichlorophenyl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1c(cccc1Cl)Cl
InChi [?]:
InChI=1/C10H11Cl2NO/c1-6(2)10(14)13-9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,11,2,8,12,7,4,14,13,6,5/E:(1,2)(4,5)(7,8)(11,12)/rA:14nCCCCONCCCCCCClCl/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s12;s8;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11Cl2NO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.85328
Area:384.955
Solvation:-1.77059
Coulombic:-21.9719
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.106
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.07
LogP (Chemaxon):2.3

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