Chemical ID: 6356500

Cc1ccc(c(c1)Br)NC(=O)CCC2CCCC2
Chemical ID:
6356500
Name [?]:
N-(2-bromo-4-methyl-phenyl)-3-cyclopentyl-propanamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)CCC2CCCC2
InChi [?]:
InChI=1/C15H20BrNO/c1-11-6-8-14(13(16)10-11)17-15(18)9-7-12-4-2-3-5-12/h6,8,10,12H,2-5,7,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,3,13,4,12,7,2,14,6,5,10,8,9,11/E:(2,3)(4,5)/rA:18nCCCCCCCBrNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20BrNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.2308
Area:469.977
Solvation:-1.51858
Coulombic:-21.9491
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:310.229
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.21
LogP (Chemaxon):4.02

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Descriptor Annotations

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