3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide

C19H23ClN2O — CID 109019799

IUPAC3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O/c1-15-5-7-17(8-6-15)14-22-19(23)10-12-21-11-9-16-3-2-4-18(20)13-16/h2-8,13,21H,9-12,14H2,1H3,(H,22,23)
InChIKeyJZYYIDJQEQGNLC-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.49
Rot. Bonds8

About 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide

3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 109019799) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID109019799
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClN2O/c1-15-5-7-17(8-6-15)14-22-19(23)10-12-21-11-9-16-3-2-4-18(20)13-16/h2-8,13,21H,9-12,14H2,1H3,(H,22,23)
InChIKeyJZYYIDJQEQGNLC-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[(4-methylphenyl)methyl]-3-(pentylamino)propanamide
CID 109019794
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 109019799) is 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNCCc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is JZYYIDJQEQGNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-15-5-7-17(8-6-15)14-22-19(23)10-12-21-11-9-16-3-2-4-18(20)13-16/h2-8,13,21H,9-12,14H2,1H3,(H,22,23).
What are the key properties of 3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide?
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 330.86 g/mol, XLogP of 3.49, 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-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).