2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide

C11H15ClN2O — CID 43214679

IUPAC2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-8(14-7-11(15)13-2)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyQUECJRRCNHGTRR-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.74
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide

2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide (PubChem CID 43214679) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
PubChem CID43214679
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
SMILESCNC(=O)CNC(C)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O/c1-8(14-7-11(15)13-2)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyQUECJRRCNHGTRR-UHFFFAOYSA-N
XLogP1.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-chlorophenyl)ethylamino]-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

N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
N-methyl-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 43214687
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8637666
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N-methylacetamide
CID 43545191
N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354492
2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
CID 43215162
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide (CID 43214679) is 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide is CNC(=O)CNC(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide?
The InChIKey is QUECJRRCNHGTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(14-7-11(15)13-2)9-3-5-10(12)6-4-9/h3-6,8,14H,7H2,1-2H3,(H,13,15).
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide?
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide has a molecular weight of 226.71 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide is sourced from PubChem (CID 43214679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).