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

C17H19ClN2O — CID 109002833

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CNCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(16-5-3-2-4-6-16)17(21)13-19-12-11-14-7-9-15(18)10-8-14/h2-10,19H,11-13H2,1H3
InChIKeyFPZLDGNMNVDHEV-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.14
Rot. Bonds6

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

2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide (PubChem CID 109002833) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide
PubChem CID109002833
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CNCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-20(16-5-3-2-4-6-16)17(21)13-19-12-11-14-7-9-15(18)10-8-14/h2-10,19H,11-13H2,1H3
InChIKeyFPZLDGNMNVDHEV-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.14
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-ethyl-N-phenylacetamide
CID 109002844
2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 60672208
2-[(4-fluorophenyl)methylamino]-N-methyl-N-phenylacetamide
CID 108997751
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-phenylacetamide
CID 109001184
N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 112996270
5-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109193694
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
N-(4-chlorophenyl)-N-methyl-3-oxo-3-phenylpropanamide
CID 4255555
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951
1-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
CID 580681
2-[2-(4-chlorophenyl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide (CID 109002833) is 2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide is CN(C(=O)CNCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide?
The InChIKey is FPZLDGNMNVDHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-20(16-5-3-2-4-6-16)17(21)13-19-12-11-14-7-9-15(18)10-8-14/h2-10,19H,11-13H2,1H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide?
2-[2-(4-chlorophenyl)ethylamino]-N-methyl-N-phenylacetamide has a molecular weight of 302.81 g/mol, XLogP of 3.14, 6 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-methyl-N-phenylacetamide is sourced from PubChem (CID 109002833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).