Chemical ID: 4391863

c1cc(cc(c1)Br)NC(=O)CC2CCCCC2
Chemical ID:
4391863
Name [?]:
N-(3-bromophenyl)-2-cyclohexyl-acetamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)CC2CCCCC2
InChi [?]:
InChI=1/C14H18BrNO/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,13,17,6,2,11,4,12,5,3,9,7,8,10/E:(2,3)(5,6)/rA:17nCCCCCCBrNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18BrNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.27792
Area:436.334
Solvation:-1.63042
Coulombic:-21.6486
Bond Count [?]
All:18
Single:14
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.203
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.77
LogP (Chemaxon):4.2

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