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

C15H11BrN2O — CID 47407969

IUPAC3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Br)c1)c1cccc(C#N)c1
InChIInChI=1S/C15H11BrN2O/c1-18(14-7-2-4-11(8-14)10-17)15(19)12-5-3-6-13(16)9-12/h2-9H,1H3
InChIKeyNUFHXFMERRNKSL-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.60
Rot. Bonds2

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

3-bromo-N-(3-cyanophenyl)-N-methylbenzamide (PubChem CID 47407969) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
PubChem CID47407969
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Br)c1)c1cccc(C#N)c1
InChIInChI=1S/C15H11BrN2O/c1-18(14-7-2-4-11(8-14)10-17)15(19)12-5-3-6-13(16)9-12/h2-9H,1H3
InChIKeyNUFHXFMERRNKSL-UHFFFAOYSA-N
XLogP3.60
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3-bromo-N-(3-cyanophenyl)-N,4-dimethylbenzamide
CID 79467111
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
N-(3-cyanophenyl)-3-hydroxy-N,4-dimethylbenzamide
CID 62983094
N-(3-aminophenyl)-3-bromo-N-methylbenzamide
CID 61296754
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
4-[butyl(methyl)amino]-N-(3-cyanophenyl)-N-methylbenzamide
CID 52822955
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
CID 115165495
5-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981357

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide (CID 47407969) is 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide is CN(C(=O)c1cccc(Br)c1)c1cccc(C#N)c1.
What is the InChIKey of 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide?
The InChIKey is NUFHXFMERRNKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-18(14-7-2-4-11(8-14)10-17)15(19)12-5-3-6-13(16)9-12/h2-9H,1H3.
What are the key properties of 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide?
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide has a molecular weight of 315.17 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyanophenyl)-N-methylbenzamide is sourced from PubChem (CID 47407969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).