3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide

C16H15Cl3N2O — CID 109021615

IUPAC3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCNCc1ccccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl3N2O/c17-12-5-2-1-4-11(12)10-20-9-8-15(22)21-16-13(18)6-3-7-14(16)19/h1-7,20H,8-10H2,(H,21,22)
InChIKeyYKAWTVSLCGKZEM-UHFFFAOYSA-N
MW357.67 g/mol
LogP4.77
Rot. Bonds6

About 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide

3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 109021615) has the molecular formula C16H15Cl3N2O and a molecular weight of 357.67 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID109021615
Molecular FormulaC16H15Cl3N2O
Molecular Weight357.67 g/mol
Exact Mass356.02
IUPAC Name3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
SMILESO=C(CCNCc1ccccc1Cl)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl3N2O/c17-12-5-2-1-4-11(12)10-20-9-8-15(22)21-16-13(18)6-3-7-14(16)19/h1-7,20H,8-10H2,(H,21,22)
InChIKeyYKAWTVSLCGKZEM-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-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
CID 109021543
2-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 43405213
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109021544
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
N-(2,6-dichlorophenyl)-3-(prop-2-enylamino)propanamide
CID 109012161
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2,6-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 60695302

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide (CID 109021615) is 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide is O=C(CCNCc1ccccc1Cl)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is YKAWTVSLCGKZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O/c17-12-5-2-1-4-11(12)10-20-9-8-15(22)21-16-13(18)6-3-7-14(16)19/h1-7,20H,8-10H2,(H,21,22).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide?
3-[(2-chlorophenyl)methylamino]-N-(2,6-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-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 109021615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).