2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide

C18H21BrN2O — CID 8539857

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-14-5-3-4-6-16(14)11-20-18(22)13-21(2)12-15-7-9-17(19)10-8-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyFVCPAGFSPKFGGI-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.51
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 8539857) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID8539857
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-14-5-3-4-6-16(14)11-20-18(22)13-21(2)12-15-7-9-17(19)10-8-15/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyFVCPAGFSPKFGGI-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide 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-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925841
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113178082
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964172
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8906703
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide (CID 8539857) is 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is FVCPAGFSPKFGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-14-5-3-4-6-16(14)11-20-18(22)13-21(2)12-15-7-9-17(19)10-8-15/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 361.28 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 8539857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).