2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide

C12H17ClN2O — CID 60672208

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-15(2)12(16)9-14-8-7-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyYONAWVOTNLXTRQ-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.56
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide

2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide (PubChem CID 60672208) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
PubChem CID60672208
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O/c1-15(2)12(16)9-14-8-7-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyYONAWVOTNLXTRQ-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(aminomethyl)phenyl]ethylamino]-N,N-dimethylacetamide
CID 174608104
2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide
CID 109002833
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide
CID 109002844
2-[[(3R)-3-(4-chlorophenyl)-4-oxopentyl]amino]-N,N-dimethylacetamide
CID 71126533
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099
2-[2-(4-chlorophenyl)ethylamino]-N-pentylacetamide
CID 109002824
1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82104490
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide (CID 60672208) is 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide?
The InChIKey is YONAWVOTNLXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(2)12(16)9-14-8-7-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide?
2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide has a molecular weight of 240.73 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 60672208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).