2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide

C16H13BrN2O — CID 103857236

IUPAC2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)c2ccccc2C#N)c1Br
InChIInChI=1S/C16H13BrN2O/c1-11-6-5-8-13(15(11)17)16(20)19(2)14-9-4-3-7-12(14)10-18/h3-9H,1-2H3
InChIKeyWNKJTJHCGFHYOW-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.91
Rot. Bonds2

About 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide

2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide (PubChem CID 103857236) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
PubChem CID103857236
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)c2ccccc2C#N)c1Br
InChIInChI=1S/C16H13BrN2O/c1-11-6-5-8-13(15(11)17)16(20)19(2)14-9-4-3-7-12(14)10-18/h3-9H,1-2H3
InChIKeyWNKJTJHCGFHYOW-UHFFFAOYSA-N
XLogP3.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
CID 103853420
4-bromo-N-(2-cyanophenyl)-N-methyl-2-sulfanylbenzamide
CID 107032776
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 103841297
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
2-bromo-N-[(4-cyanophenyl)methyl]-N,3-dimethylbenzamide
CID 103853128
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349
3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 80644312
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
2-amino-3-(2-cyano-N-methylanilino)benzamide
CID 115546642

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide?
The IUPAC name of 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide (CID 103857236) is 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide?
The canonical SMILES for 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)c2ccccc2C#N)c1Br.
What is the InChIKey of 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide?
The InChIKey is WNKJTJHCGFHYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-11-6-5-8-13(15(11)17)16(20)19(2)14-9-4-3-7-12(14)10-18/h3-9H,1-2H3.
What are the key properties of 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide?
2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide has a molecular weight of 329.20 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 103857236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).