2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

C18H21ClN2O — CID 4881897

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-14(16-8-4-3-5-9-16)20-18(22)13-21(2)12-15-7-6-10-17(19)11-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyOFBJAGWIGNWIDQ-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.65
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 4881897) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
PubChem CID4881897
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-14(16-8-4-3-5-9-16)20-18(22)13-21(2)12-15-7-6-10-17(19)11-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)
InChIKeyOFBJAGWIGNWIDQ-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (CID 4881897) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is OFBJAGWIGNWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14(16-8-4-3-5-9-16)20-18(22)13-21(2)12-15-7-6-10-17(19)11-15/h3-11,14H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 4881897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).