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

C18H21ClN2O — CID 109021533

IUPAC3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCNCc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-13-9-14(2)11-16(10-13)21-18(22)7-8-20-12-15-5-3-4-6-17(15)19/h3-6,9-11,20H,7-8,12H2,1-2H3,(H,21,22)
InChIKeyZFWIGFLXSPHZCO-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.08
Rot. Bonds6

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

3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 109021533) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
PubChem CID109021533
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCNCc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O/c1-13-9-14(2)11-16(10-13)21-18(22)7-8-20-12-15-5-3-4-6-17(15)19/h3-6,9-11,20H,7-8,12H2,1-2H3,(H,21,22)
InChIKeyZFWIGFLXSPHZCO-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-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
CID 109021543
2-[(2-chlorophenyl)methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 54832861
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3,5-dimethylphenyl)propanamide
CID 113119484
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019394
N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109021544

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide (CID 109021533) is 3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)CCNCc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is ZFWIGFLXSPHZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-9-14(2)11-16(10-13)21-18(22)7-8-20-12-15-5-3-4-6-17(15)19/h3-6,9-11,20H,7-8,12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide?
3-[(2-chlorophenyl)methylamino]-N-(3,5-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-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 109021533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).