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

C16H13BrN2O — CID 107625909

IUPACN-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
SMILESCc1c(Br)cccc1NC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H13BrN2O/c1-11-14(17)8-5-9-15(11)19-16(20)13(10-18)12-6-3-2-4-7-12/h2-9,13H,1H3,(H,19,20)
InChIKeyQVRMRQROJHIJBB-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.00
Rot. Bonds3

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

N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide (PubChem CID 107625909) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
PubChem CID107625909
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide
SMILESCc1c(Br)cccc1NC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C16H13BrN2O/c1-11-14(17)8-5-9-15(11)19-16(20)13(10-18)12-6-3-2-4-7-12/h2-9,13H,1H3,(H,19,20)
InChIKeyQVRMRQROJHIJBB-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-2-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

2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
N-(3-bromo-4-methylphenyl)-2-cyano-2-phenylacetamide
CID 63334572
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
2-cyano-N-[2-(methoxymethyl)phenyl]-2-phenylacetamide
CID 62878418
N-(4-bromo-3,5-dimethylphenyl)-2-cyano-2-phenylacetamide
CID 107574565
N-(3-chloro-2-fluorophenyl)-2-cyano-2-phenylacetamide
CID 62877359
N-(5-bromo-2-chlorophenyl)-2-cyano-2-phenylacetamide
CID 62907733
2-[(3-bromo-2-methylphenyl)carbamoylamino]benzoic acid
CID 107627490
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
2-cyano-N-(3-methyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 55128778

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide (CID 107625909) is N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide is Cc1c(Br)cccc1NC(=O)C(C#N)c1ccccc1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide?
The InChIKey is QVRMRQROJHIJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-11-14(17)8-5-9-15(11)19-16(20)13(10-18)12-6-3-2-4-7-12/h2-9,13H,1H3,(H,19,20).
What are the key properties of N-(3-bromo-2-methylphenyl)-2-cyano-2-phenylacetamide?
N-(3-bromo-2-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-2-methylphenyl)-2-cyano-2-phenylacetamide is sourced from PubChem (CID 107625909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).