3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide

C16H17FN2O — CID 109020896

IUPAC3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
SMILESO=C(CCNCc1ccccc1F)Nc1ccccc1
InChIInChI=1S/C16H17FN2O/c17-15-9-5-4-6-13(15)12-18-11-10-16(20)19-14-7-2-1-3-8-14/h1-9,18H,10-12H2,(H,19,20)
InChIKeyZDMWMFRILTXKNB-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.94
Rot. Bonds6

About 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide

3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide (PubChem CID 109020896) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
PubChem CID109020896
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
SMILESO=C(CCNCc1ccccc1F)Nc1ccccc1
InChIInChI=1S/C16H17FN2O/c17-15-9-5-4-6-13(15)12-18-11-10-16(20)19-14-7-2-1-3-8-14/h1-9,18H,10-12H2,(H,19,20)
InChIKeyZDMWMFRILTXKNB-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.94
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-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020973
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
N-(3,4-difluorophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019409
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
N-[2-(4-fluorophenyl)ethyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020851
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
CID 109020977
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide (CID 109020896) is 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide is O=C(CCNCc1ccccc1F)Nc1ccccc1.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide?
The InChIKey is ZDMWMFRILTXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-15-9-5-4-6-13(15)12-18-11-10-16(20)19-14-7-2-1-3-8-14/h1-9,18H,10-12H2,(H,19,20).
What are the key properties of 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide?
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide has a molecular weight of 272.32 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide is sourced from PubChem (CID 109020896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).