Chemical ID: 4682899

Cc1ccc(c(c1)Br)NC(=O)C2CCCCC2
Chemical ID:
4682899
Name [?]:
N-(2-bromo-4-methyl-phenyl)cyclohexanecarboxamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C14H18BrNO/c1-10-7-8-13(12(15)9-10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,13,17,3,4,7,2,12,6,5,10,8,9,11/E:(3,4)(5,6)/rA:17nCCCCCCCBrNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18BrNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.44446
Area:433.513
Solvation:-1.39338
Coulombic:-22.1636
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.203
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.42
LogP (Chemaxon):3.86

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Descriptor Annotations

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