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

C17H18Cl2N2O — CID 109020057

IUPACN-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-12-2-4-13(5-3-12)11-20-9-8-17(22)21-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyKDIVHNFBYACRLI-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.42
Rot. Bonds6

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

N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 109020057) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID109020057
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O/c1-12-2-4-13(5-3-12)11-20-9-8-17(22)21-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyKDIVHNFBYACRLI-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-(3,4-dichlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019724
3-[(4-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 109019987
3-(3,4-dichloroanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019889
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021226
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022550
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N-(3-chlorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019663
N-(4-bromo-3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024054

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide (CID 109020057) is N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide is Cc1ccc(CNCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is KDIVHNFBYACRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12-2-4-13(5-3-12)11-20-9-8-17(22)21-14-6-7-15(18)16(19)10-14/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide?
N-(3,4-dichlorophenyl)-3-[(4-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-(3,4-dichlorophenyl)-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109020057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).