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

C16H15Cl3N2O — CID 109021928

IUPAC3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl3N2O/c17-12-3-1-11(2-4-12)10-20-8-7-16(22)21-15-9-13(18)5-6-14(15)19/h1-6,9,20H,7-8,10H2,(H,21,22)
InChIKeyPCQNYLGNPAZLCD-UHFFFAOYSA-N
MW357.67 g/mol
LogP4.77
Rot. Bonds6

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

3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 109021928) has the molecular formula C16H15Cl3N2O and a molecular weight of 357.67 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
PubChem CID109021928
Molecular FormulaC16H15Cl3N2O
Molecular Weight357.67 g/mol
Exact Mass356.02
IUPAC Name3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl3N2O/c17-12-3-1-11(2-4-12)10-20-8-7-16(22)21-15-9-13(18)5-6-14(15)19/h1-6,9,20H,7-8,10H2,(H,21,22)
InChIKeyPCQNYLGNPAZLCD-UHFFFAOYSA-N
XLogP4.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.67
LogP ≤ 54.77
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

3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863
N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide
CID 109012904
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
CID 109021922
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761
3-(4-acetamidoanilino)-N-(2,5-dichlorophenyl)propanamide
CID 109041273
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
N-(5-chloro-2-methylphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019666

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide (CID 109021928) is 3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide is O=C(CCNCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is PCQNYLGNPAZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O/c17-12-3-1-11(2-4-12)10-20-8-7-16(22)21-15-9-13(18)5-6-14(15)19/h1-6,9,20H,7-8,10H2,(H,21,22).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide?
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 357.67 g/mol, XLogP of 4.77, 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-dichlorophenyl)propanamide is sourced from PubChem (CID 109021928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).