N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide

C15H12BrN3O — CID 107799477

IUPACN-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H12BrN3O/c1-18-13-5-3-2-4-12(13)15(20)19-14-8-11(16)7-6-10(14)9-17/h2-8,18H,1H3,(H,19,20)
InChIKeyYFASVFUTQRQRRN-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.61
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide

N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide (PubChem CID 107799477) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
PubChem CID107799477
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H12BrN3O/c1-18-13-5-3-2-4-12(13)15(20)19-14-8-11(16)7-6-10(14)9-17/h2-8,18H,1H3,(H,19,20)
InChIKeyYFASVFUTQRQRRN-UHFFFAOYSA-N
XLogP3.61
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
N-(3,4-dicyanophenyl)-2-(methylamino)benzamide
CID 107791441
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
4-bromo-2-(methylamino)benzonitrile
CID 24903089
N-(5-bromo-2-cyanophenyl)-3-hydroxybenzamide
CID 107798309
2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107797195
N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 107801255
N-(4-bromo-2-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82704103

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide (CID 107799477) is N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide is CNc1ccccc1C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide?
The InChIKey is YFASVFUTQRQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-18-13-5-3-2-4-12(13)15(20)19-14-8-11(16)7-6-10(14)9-17/h2-8,18H,1H3,(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide?
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide has a molecular weight of 330.19 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide is sourced from PubChem (CID 107799477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).