Chemical ID: 4251226

c1cc(c(cc1Br)C(=O)NC2CCCCC2)Cl
Chemical ID:
4251226
Name [?]:
5-bromo-2-chloro-N-cyclohexyl-benzamide
SMILES [?]:
c1cc(c(cc1Br)C(=O)NC2CCCCC2)Cl
InChi [?]:
InChI=1/C13H15BrClNO/c14-9-6-7-12(15)11(8-9)13(17)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,2,5,6,11,4,3,8,7,17,10,9/E:(2,3)(4,5)/rA:17nCCCCCCBrCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15BrClNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.4549
Area:444.707
Solvation:-1.66278
Coulombic:-23.2289
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:316.621
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.68
LogP (Chemaxon):3.84

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