Chemical ID: 4500257

CCCCC1CCC(CC1)C(=O)Nc2ccccc2Br
Chemical ID:
4500257
Name [?]:
N-(2-bromophenyl)-4-butyl-cyclohexane-1-carboxamide
SMILES [?]:
CCCCC1CCC(CC1)C(=O)Nc2ccccc2Br
InChi [?]:
InChI=1/C17H24BrNO/c1-2-3-6-13-9-11-14(12-10-13)17(20)19-16-8-5-4-7-15(16)18/h4-5,7-8,13-14H,2-3,6,9-12H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,17,16,4,18,15,6,10,7,9,5,8,19,14,11,20,13,12/E:(9,10)(11,12)/rA:20nCCCCCCCCCCCONCCCCCCBr/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24BrNO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:11.3308
Area:510.976
Solvation:-1.44364
Coulombic:-23.535
Bond Count [?]
All:21
Single:17
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.283
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.2
LogP (Chemaxon):4.91

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