Chemical ID: 5723766

Cc1ccc(c(c1)C)C(=O)Nc2ccccc2Br
Chemical ID:
5723766
Name [?]:
N-(2-bromophenyl)-2,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)Nc2ccccc2Br
InChi [?]:
InChI=1/C15H14BrNO/c1-10-7-8-12(11(2)9-10)15(18)17-14-6-4-3-5-13(14)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,15,14,16,13,3,4,7,2,6,5,17,12,9,18,11,10/rA:18nCCCCCCCCCONCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14BrNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.60926
Area:439.0
Solvation:-1.36575
Coulombic:-24.0277
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:304.182
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.66
LogP (Chemaxon):4.18

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Descriptor Annotations

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