N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide

C21H19FN2O — CID 110409718

IUPACN-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
SMILESO=C(NCc1ccc(F)cc1)C(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C21H19FN2O/c22-19-10-8-16(9-11-19)15-24-21(25)20(18-6-2-1-3-7-18)13-17-5-4-12-23-14-17/h1-12,14,20H,13,15H2,(H,24,25)
InChIKeyBKZDEDDCRXSUPZ-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide

N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide (PubChem CID 110409718) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
PubChem CID110409718
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
SMILESO=C(NCc1ccc(F)cc1)C(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C21H19FN2O/c22-19-10-8-16(9-11-19)15-24-21(25)20(18-6-2-1-3-7-18)13-17-5-4-12-23-14-17/h1-12,14,20H,13,15H2,(H,24,25)
InChIKeyBKZDEDDCRXSUPZ-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296450
2-(4-fluorophenyl)-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 110296305
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
N-(3-fluorophenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425726
2-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-pyridin-3-ylpropanamide
CID 110306923
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110627067
N-(4-methoxybutyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110610135
N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296516
2-(4-fluorophenyl)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305024
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide (CID 110409718) is N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide is O=C(NCc1ccc(F)cc1)C(Cc1cccnc1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide?
The InChIKey is BKZDEDDCRXSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-19-10-8-16(9-11-19)15-24-21(25)20(18-6-2-1-3-7-18)13-17-5-4-12-23-14-17/h1-12,14,20H,13,15H2,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide?
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide has a molecular weight of 334.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110409718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).