Chemical ID: 6355300

c1cc(c(cc1Br)Br)NC(=O)CCC2CCCC2
Chemical ID:
6355300
Name [?]:
3-cyclopentyl-N-(2,4-dibromophenyl)-propanamide
SMILES [?]:
c1cc(c(cc1Br)Br)NC(=O)CCC2CCCC2
InChi [?]:
InChI=1/C14H17Br2NO/c15-11-6-7-13(12(16)9-11)17-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:16,17,15,18,13,1,2,12,5,14,6,4,3,10,7,8,9,11/E:(1,2)(3,4)/rA:18nCCCCCCBrBrNCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17Br2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.5009
Area:477.356
Solvation:-1.43296
Coulombic:-21.788
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.099
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.57
LogP (Chemaxon):4.35

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