N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide

C16H13BrN2O — CID 63334572

IUPACN-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(C#N)c2ccccc2)cc1Br
InChIInChI=1S/C16H13BrN2O/c1-11-7-8-13(9-15(11)17)19-16(20)14(10-18)12-5-3-2-4-6-12/h2-9,14H,1H3,(H,19,20)
InChIKeyNBHQMRZLKCTKIS-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.00
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide

N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide (PubChem CID 63334572) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
PubChem CID63334572
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(C#N)c2ccccc2)cc1Br
InChIInChI=1S/C16H13BrN2O/c1-11-7-8-13(9-15(11)17)19-16(20)14(10-18)12-5-3-2-4-6-12/h2-9,14H,1H3,(H,19,20)
InChIKeyNBHQMRZLKCTKIS-UHFFFAOYSA-N
XLogP4.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
CID 107625909
N-(1,3-benzothiazol-6-yl)-2-cyano-2-phenylacetamide
CID 107805412
2-cyano-N-(3-ethynylphenyl)-2-phenylacetamide
CID 62877869
N-(3-bromo-4-methylphenyl)-2-sulfanylpropanamide
CID 83768513
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
(2S)-2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 22691230
2-amino-N-(3-bromo-4-methylphenyl)-3-phenylpropanamide
CID 63334484
2-cyano-2-phenyl-N-pyrimidin-5-ylacetamide
CID 107588694
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide (CID 63334572) is N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide is Cc1ccc(NC(=O)C(C#N)c2ccccc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide?
The InChIKey is NBHQMRZLKCTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-11-7-8-13(9-15(11)17)19-16(20)14(10-18)12-5-3-2-4-6-12/h2-9,14H,1H3,(H,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide?
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide has a molecular weight of 329.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide is sourced from PubChem (CID 63334572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).