3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide

C19H22Cl2N2O — CID 109033457

IUPAC3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H22Cl2N2O/c1-2-14-3-7-17(8-4-14)23-19(24)10-12-22-11-9-15-5-6-16(20)13-18(15)21/h3-8,13,22H,2,9-12H2,1H3,(H,23,24)
InChIKeyHISHWPPWHCKALR-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.72
Rot. Bonds8

About 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide

3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide (PubChem CID 109033457) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
PubChem CID109033457
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H22Cl2N2O/c1-2-14-3-7-17(8-4-14)23-19(24)10-12-22-11-9-15-5-6-16(20)13-18(15)21/h3-8,13,22H,2,9-12H2,1H3,(H,23,24)
InChIKeyHISHWPPWHCKALR-UHFFFAOYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.72
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-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
CID 109033478
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109033475
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 109006915
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
2-[2-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027692
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide (CID 109033457) is 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide?
The InChIKey is HISHWPPWHCKALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-2-14-3-7-17(8-4-14)23-19(24)10-12-22-11-9-15-5-6-16(20)13-18(15)21/h3-8,13,22H,2,9-12H2,1H3,(H,23,24).
What are the key properties of 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide?
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide has a molecular weight of 365.30 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 109033457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).