N-(2-bromophenyl)-2-cyano-N-methylacetamide

C10H9BrN2O — CID 83548486

IUPACN-(2-bromophenyl)-2-cyano-N-methylacetamide
SMILESCN(C(=O)CC#N)c1ccccc1Br
InChIInChI=1S/C10H9BrN2O/c1-13(10(14)6-7-12)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKeyQPZCUMCLCOCWQK-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.33
Rot. Bonds2

About N-(2-bromophenyl)-2-cyano-N-methylacetamide

N-(2-bromophenyl)-2-cyano-N-methylacetamide (PubChem CID 83548486) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-cyano-N-methylacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-cyano-N-methylacetamide
PubChem CID83548486
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC NameN-(2-bromophenyl)-2-cyano-N-methylacetamide
SMILESCN(C(=O)CC#N)c1ccccc1Br
InChIInChI=1S/C10H9BrN2O/c1-13(10(14)6-7-12)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKeyQPZCUMCLCOCWQK-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173041
N-(2-bromophenyl)-N-methyl-3-phenylpropanamide
CID 66744699
3-amino-N-(2-bromophenyl)-N-methylbutanamide
CID 115154147
5-(2-bromo-N-methylanilino)-5-oxopentanoic acid
CID 115163855
N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide
CID 115116492
N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173025
2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
CID 146415746
3-(2-bromo-N-methylanilino)butanenitrile
CID 82119794
3-(2-bromo-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 115164003
(2-bromo-6-cyanophenyl)-methylcarbamic acid
CID 175738879
2-cyano-N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 115173017
N-(2-bromophenyl)-N-methylhydroxylamine
CID 58554811

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-cyano-N-methylacetamide?
The IUPAC name of N-(2-bromophenyl)-2-cyano-N-methylacetamide (CID 83548486) is N-(2-bromophenyl)-2-cyano-N-methylacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-cyano-N-methylacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-cyano-N-methylacetamide is CN(C(=O)CC#N)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-cyano-N-methylacetamide?
The InChIKey is QPZCUMCLCOCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-13(10(14)6-7-12)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3.
What are the key properties of N-(2-bromophenyl)-2-cyano-N-methylacetamide?
N-(2-bromophenyl)-2-cyano-N-methylacetamide has a molecular weight of 253.10 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-cyano-N-methylacetamide is sourced from PubChem (CID 83548486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).