2-bromo-N-(4-cyanophenyl)-N-methylacetamide

C10H9BrN2O — CID 63679745

IUPAC2-bromo-N-(4-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)CBr)c1ccc(C#N)cc1
InChIInChI=1S/C10H9BrN2O/c1-13(10(14)6-11)9-4-2-8(7-12)3-5-9/h2-5H,6H2,1H3
InChIKeyMGFPGLCYQNTDLP-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.92
Rot. Bonds2

About 2-bromo-N-(4-cyanophenyl)-N-methylacetamide

2-bromo-N-(4-cyanophenyl)-N-methylacetamide (PubChem CID 63679745) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-bromo-N-(4-cyanophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-(4-cyanophenyl)-N-methylacetamide
PubChem CID63679745
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-bromo-N-(4-cyanophenyl)-N-methylacetamide
SMILESCN(C(=O)CBr)c1ccc(C#N)cc1
InChIInChI=1S/C10H9BrN2O/c1-13(10(14)6-11)9-4-2-8(7-12)3-5-9/h2-5H,6H2,1H3
InChIKeyMGFPGLCYQNTDLP-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
2-[2-(4-cyano-N-methylanilino)-2-oxoethoxy]acetic acid
CID 62983344
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
N-(4-cyanophenyl)-N,3-dimethylpentanamide
CID 114874745
N-(4-cyanophenyl)-2-cyclopentyl-N-methylacetamide
CID 55141963
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
N-(4-cyanophenyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62981903
N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 62982241
N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 62981534
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62982663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-cyanophenyl)-N-methylacetamide?
The IUPAC name of 2-bromo-N-(4-cyanophenyl)-N-methylacetamide (CID 63679745) is 2-bromo-N-(4-cyanophenyl)-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-(4-cyanophenyl)-N-methylacetamide?
The canonical SMILES for 2-bromo-N-(4-cyanophenyl)-N-methylacetamide is CN(C(=O)CBr)c1ccc(C#N)cc1.
What is the InChIKey of 2-bromo-N-(4-cyanophenyl)-N-methylacetamide?
The InChIKey is MGFPGLCYQNTDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-13(10(14)6-11)9-4-2-8(7-12)3-5-9/h2-5H,6H2,1H3.
What are the key properties of 2-bromo-N-(4-cyanophenyl)-N-methylacetamide?
2-bromo-N-(4-cyanophenyl)-N-methylacetamide has a molecular weight of 253.10 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-cyanophenyl)-N-methylacetamide is sourced from PubChem (CID 63679745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).