3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide

C16H16ClFN2O — CID 109021863

IUPAC3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1F
InChIInChI=1S/C16H16ClFN2O/c17-13-7-5-12(6-8-13)11-19-10-9-16(21)20-15-4-2-1-3-14(15)18/h1-8,19H,9-11H2,(H,20,21)
InChIKeyXTDGOBFPYCLHCV-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.60
Rot. Bonds6

About 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide

3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide (PubChem CID 109021863) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
PubChem CID109021863
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1F
InChIInChI=1S/C16H16ClFN2O/c17-13-7-5-12(6-8-13)11-19-10-9-16(21)20-15-4-2-1-3-14(15)18/h1-8,19H,9-11H2,(H,20,21)
InChIKeyXTDGOBFPYCLHCV-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.60
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-(trifluoromethyl)phenyl]propanamide
CID 109021889
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
CID 109021922
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 17473263
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
N-(2-fluorophenyl)butanamide
CID 849021
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide (CID 109021863) is 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide is O=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1F.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide?
The InChIKey is XTDGOBFPYCLHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c17-13-7-5-12(6-8-13)11-19-10-9-16(21)20-15-4-2-1-3-14(15)18/h1-8,19H,9-11H2,(H,20,21).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide?
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide has a molecular weight of 306.77 g/mol, XLogP of 3.60, 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-fluorophenyl)propanamide is sourced from PubChem (CID 109021863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).