3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide

C19H23ClN2O — CID 109020118

IUPAC3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCNCCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-15(17-7-3-2-4-8-17)22-19(23)11-13-21-12-10-16-6-5-9-18(20)14-16/h2-9,14-15,21H,10-13H2,1H3,(H,22,23)
InChIKeyBMWWCXOIESWANW-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.74
Rot. Bonds8

About 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide

3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide (PubChem CID 109020118) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide
PubChem CID109020118
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCNCCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-15(17-7-3-2-4-8-17)22-19(23)11-13-21-12-10-16-6-5-9-18(20)14-16/h2-9,14-15,21H,10-13H2,1H3,(H,22,23)
InChIKeyBMWWCXOIESWANW-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
3-[(3-chlorophenyl)methylsulfanyl]-N-(1-phenylethyl)propanamide
CID 42889731
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
3-[(2-chlorophenyl)methylamino]-N-(1-phenylethyl)propanamide
CID 109020077
3-(5-chloro-2-methylanilino)-N-(1-phenylethyl)propanamide
CID 109020148
6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118859
(Z)-3-[2-(3-chlorophenyl)ethylamino]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108840217
N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134036301
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide (CID 109020118) is 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide is CC(NC(=O)CCNCCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide?
The InChIKey is BMWWCXOIESWANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-15(17-7-3-2-4-8-17)22-19(23)11-13-21-12-10-16-6-5-9-18(20)14-16/h2-9,14-15,21H,10-13H2,1H3,(H,22,23).
What are the key properties of 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide?
3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide has a molecular weight of 330.86 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 109020118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).