2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide

C18H21ClN2O — CID 109002844

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-2-21(17-6-4-3-5-7-17)18(22)14-20-13-12-15-8-10-16(19)11-9-15/h3-11,20H,2,12-14H2,1H3
InChIKeyWZQJTANAOBKJJR-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.53
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide

2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide (PubChem CID 109002844) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide
PubChem CID109002844
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CNCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H21ClN2O/c1-2-21(17-6-4-3-5-7-17)18(22)14-20-13-12-15-8-10-16(19)11-9-15/h3-11,20H,2,12-14H2,1H3
InChIKeyWZQJTANAOBKJJR-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.53
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-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide
CID 109002833
N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-phenylacetamide
CID 109001184
2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 60672208
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-chloro-N-(4-chlorophenyl)-N-ethylacetamide
CID 15045863
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
2-(2-methoxyethylamino)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753328
4-[3-(N-ethylanilino)-3-oxopropyl]benzoic acid
CID 82071678
2-[2-(4-chlorophenyl)ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 109002864
5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 47077810

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide (CID 109002844) is 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide is CCN(C(=O)CNCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide?
The InChIKey is WZQJTANAOBKJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-2-21(17-6-4-3-5-7-17)18(22)14-20-13-12-15-8-10-16(19)11-9-15/h3-11,20H,2,12-14H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide?
2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide has a molecular weight of 316.83 g/mol, XLogP of 3.53, 7 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-ethyl-N-phenylacetamide is sourced from PubChem (CID 109002844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).