2-bromo-N-(2-cyanophenyl)-3-methylbenzamide

C15H11BrN2O — CID 103857096

IUPAC2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C#N)c1Br
InChIInChI=1S/C15H11BrN2O/c1-10-5-4-7-12(14(10)16)15(19)18-13-8-3-2-6-11(13)9-17/h2-8H,1H3,(H,18,19)
InChIKeyZCNCXYQHQQMYJU-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.88
Rot. Bonds2

About 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide

2-bromo-N-(2-cyanophenyl)-3-methylbenzamide (PubChem CID 103857096) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
PubChem CID103857096
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C#N)c1Br
InChIInChI=1S/C15H11BrN2O/c1-10-5-4-7-12(14(10)16)15(19)18-13-8-3-2-6-11(13)9-17/h2-8H,1H3,(H,18,19)
InChIKeyZCNCXYQHQQMYJU-UHFFFAOYSA-N
XLogP3.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 103857081
2-amino-N-(2-cyanophenyl)-6-methylbenzamide
CID 16781189
2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide
CID 107799208
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-3-methylbenzamide
CID 103857168
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
CID 103857236
5-amino-N-(2-cyanophenyl)-2-methylpyridine-3-carboxamide
CID 54913836

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide (CID 103857096) is 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccccc2C#N)c1Br.
What is the InChIKey of 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide?
The InChIKey is ZCNCXYQHQQMYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-5-4-7-12(14(10)16)15(19)18-13-8-3-2-6-11(13)9-17/h2-8H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide?
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide has a molecular weight of 315.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyanophenyl)-3-methylbenzamide is sourced from PubChem (CID 103857096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).