Chemical ID: 7310212

Cc1c(cccc1Cl)NC(=O)CC2CC3CCC2C3
Chemical ID:
7310212
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-norbornan-2-yl-acetamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)CC2CC3CCC2C3
InChi [?]:
InChI=1/C16H20ClNO/c1-10-14(17)3-2-4-15(10)18-16(19)9-13-8-11-5-6-12(13)7-11/h2-4,11-13H,5-9H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,16,17,19,14,12,2,15,18,13,7,3,10,8,9,11/rA:19cCCCCCCCClNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20ClNO
All Atoms:39
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:9.89236
Area:458.027
Solvation:-1.55832
Coulombic:-21.941
Bond Count [?]
All:21
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.789
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.93
LogP (Chemaxon):3.51

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