N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide

C17H18Cl2N2O — CID 109019394

IUPACN-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-16-7-6-14(18)10-15(16)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyUMKGCADZOFXIMK-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.42
Rot. Bonds6

About N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide

N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide (PubChem CID 109019394) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
PubChem CID109019394
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-16-7-6-14(18)10-15(16)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyUMKGCADZOFXIMK-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.42
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-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996624
N-(3-chloro-4-fluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019338
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571
N-(2-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019380
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(5-chloro-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 8624306
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019401
N-(2-methoxyphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019344
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
5-chloro-2-[3-(2-methylphenyl)propanoylamino]benzoic acid
CID 141008006

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide (CID 109019394) is N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide is Cc1ccccc1CNCCC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The InChIKey is UMKGCADZOFXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12-4-2-3-5-13(12)11-20-9-8-17(22)21-16-7-6-14(18)10-15(16)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide has a molecular weight of 337.25 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-[(2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).