2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide

C18H19BrN2O2 — CID 32758175

IUPAC2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(CC(=O)N(C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-13(22)20-17-9-5-14(6-10-17)11-18(23)21(2)12-15-3-7-16(19)8-4-15/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyCAXKPCNOWJOQNR-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide

2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide (PubChem CID 32758175) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
PubChem CID32758175
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
SMILESCC(=O)Nc1ccc(CC(=O)N(C)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H19BrN2O2/c1-13(22)20-17-9-5-14(6-10-17)11-18(23)21(2)12-15-3-7-16(19)8-4-15/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyCAXKPCNOWJOQNR-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide 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-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
2-(4-acetamidophenyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27823052
2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 27827477
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N-[4-[2-[[N-[(4-bromophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]phenyl]acetamide
CID 111292771
2-(4-acetamidophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 17485829
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
CID 61030942
(4-acetamidophenyl) 2-(4-bromophenyl)acetate
CID 26188194
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide (CID 32758175) is 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide is CC(=O)Nc1ccc(CC(=O)N(C)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide?
The InChIKey is CAXKPCNOWJOQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-13(22)20-17-9-5-14(6-10-17)11-18(23)21(2)12-15-3-7-16(19)8-4-15/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide?
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide has a molecular weight of 375.27 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 32758175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).