Chemical ID: 5536823

CC1CCC(CC1)C(=O)Nc2cc(ccc2Cl)Cl
Chemical ID:
5536823
Name [?]:
N-(2,5-dichlorophenyl)-4-methyl-cyclohexane-1-carboxamide
SMILES [?]:
CC1CCC(CC1)C(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C14H17Cl2NO/c1-9-2-4-10(5-3-9)14(18)17-13-8-11(15)6-7-12(13)16/h6-10H,2-5H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,14,15,12,2,5,13,16,11,8,18,17,10,9/E:(2,3)(4,5)/rA:18nCCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17Cl2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.3497
Area:470.746
Solvation:-1.41893
Coulombic:-22.9146
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.196
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.94
LogP (Chemaxon):3.96

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