Chemical ID: 6948647

CCC(C)c1ccccc1NC(=O)c2ccccc2Br
Chemical ID:
6948647
Name [?]:
2-bromo-N-(2-sec-butylphenyl)-benzamide
SMILES [?]:
CCC(C)c1ccccc1NC(=O)c2ccccc2Br
InChi [?]:
InChI=1/C17H18BrNO/c1-3-12(2)13-8-5-7-11-16(13)19-17(20)14-9-4-6-10-15(14)18/h4-12H,3H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,2,16,7,17,8,6,15,18,9,3,5,14,19,10,12,20,11,13/rA:20cCCCCCCCCCCNCOCCCCCCBr/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrNO
All Atoms:38
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:10.1962
Area:482.225
Solvation:-1.85942
Coulombic:-24.2813
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.235
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.55
LogP (Chemaxon):4.83

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