2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide

C17H16Cl3NO — CID 13268038

IUPAC2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H16Cl3NO/c1-11(14-8-7-13(18)10-16(14)20)21(2)17(22)9-12-5-3-4-6-15(12)19/h3-8,10-11H,9H2,1-2H3
InChIKeyWIISMOBSHLYLBN-UHFFFAOYSA-N
MW356.68 g/mol
LogP5.41
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide

2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide (PubChem CID 13268038) has the molecular formula C17H16Cl3NO and a molecular weight of 356.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
PubChem CID13268038
Molecular FormulaC17H16Cl3NO
Molecular Weight356.68 g/mol
Exact Mass355.03
IUPAC Name2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C17H16Cl3NO/c1-11(14-8-7-13(18)10-16(14)20)21(2)17(22)9-12-5-3-4-6-15(12)19/h3-8,10-11H,9H2,1-2H3
InChIKeyWIISMOBSHLYLBN-UHFFFAOYSA-N
XLogP5.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.68
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
CID 55583785
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 134004048
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 46588611
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
N-[1-(2-chlorophenyl)ethyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 62729336
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide (CID 13268038) is 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The InChIKey is WIISMOBSHLYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO/c1-11(14-8-7-13(18)10-16(14)20)21(2)17(22)9-12-5-3-4-6-15(12)19/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide has a molecular weight of 356.68 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 13268038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).