2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide

C18H21ClN2O — CID 60505511

IUPAC2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
SMILESCC(c1ccccc1Cl)N(C)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-14(16-11-7-8-12-17(16)19)20(2)13-18(22)21(3)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKeyWKYMHLPZOURLQW-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.00
Rot. Bonds5

About 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide

2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide (PubChem CID 60505511) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
PubChem CID60505511
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
SMILESCC(c1ccccc1Cl)N(C)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-14(16-11-7-8-12-17(16)19)20(2)13-18(22)21(3)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKeyWKYMHLPZOURLQW-UHFFFAOYSA-N
XLogP4.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
N-tert-butyl-2-[1-(2-chlorophenyl)ethyl-methylamino]acetamide
CID 84831983
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
N-tert-butyl-2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]acetamide
CID 8767576
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62984778
2-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253059
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076
2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid
CID 65057794

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide (CID 60505511) is 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide is CC(c1ccccc1Cl)N(C)CC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide?
The InChIKey is WKYMHLPZOURLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14(16-11-7-8-12-17(16)19)20(2)13-18(22)21(3)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3.
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide?
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide has a molecular weight of 316.83 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 60505511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).