3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide

C18H21ClN2O — CID 109021847

IUPAC3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O/c1-13-3-4-14(2)17(11-13)21-18(22)9-10-20-12-15-5-7-16(19)8-6-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyWZVKDSTVEUERMZ-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.08
Rot. Bonds6

About 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide

3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide (PubChem CID 109021847) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
PubChem CID109021847
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O/c1-13-3-4-14(2)17(11-13)21-18(22)9-10-20-12-15-5-7-16(19)8-6-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyWZVKDSTVEUERMZ-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.08
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-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666
3-(5-chloro-2-methylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035268
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
3-(4-chloroanilino)-N-(2,5-dimethylphenyl)propanamide
CID 109035266
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997079
4-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 3342443
N'-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946767
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 846748
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019936

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide (CID 109021847) is 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCNCc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is WZVKDSTVEUERMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-3-4-14(2)17(11-13)21-18(22)9-10-20-12-15-5-7-16(19)8-6-15/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide?
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 109021847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).