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

C19H21Cl2N3O2 — CID 109033478

IUPACN-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-13(25)23-16-3-2-4-17(12-16)24-19(26)8-10-22-9-7-14-5-6-15(20)11-18(14)21/h2-6,11-12,22H,7-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyJODDMCZURJNJMW-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.11
Rot. Bonds8

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

N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide (PubChem CID 109033478) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
PubChem CID109033478
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-13(25)23-16-3-2-4-17(12-16)24-19(26)8-10-22-9-7-14-5-6-15(20)11-18(14)21/h2-6,11-12,22H,7-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyJODDMCZURJNJMW-UHFFFAOYSA-N
XLogP4.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108991040
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-ethylphenyl)propanamide
CID 109033457
3-[2-(2,4-dichlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109033475
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
3-(4-acetamidoanilino)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 109033424
3-(2,4-dichlorophenyl)-N-(3-methylsulfanylphenyl)propanamide
CID 100606198
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
N-(3-acetamidophenyl)-3-(3-phenylpropylamino)propanamide
CID 109030973
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
3-[2-(2,4-dichlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020733

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide (CID 109033478) is N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide is CC(=O)Nc1cccc(NC(=O)CCNCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide?
The InChIKey is JODDMCZURJNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-13(25)23-16-3-2-4-17(12-16)24-19(26)8-10-22-9-7-14-5-6-15(20)11-18(14)21/h2-6,11-12,22H,7-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide?
N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide has a molecular weight of 394.30 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[2-(2,4-dichlorophenyl)ethylamino]propanamide is sourced from PubChem (CID 109033478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).