N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide

C16H17FN2O — CID 110648100

IUPACN-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
SMILESCC(CC(=O)NCc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C16H17FN2O/c1-12(14-3-2-8-18-11-14)9-16(20)19-10-13-4-6-15(17)7-5-13/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKeyKJQSCPXGJJYQRL-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.03
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide

N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide (PubChem CID 110648100) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
PubChem CID110648100
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
SMILESCC(CC(=O)NCc1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C16H17FN2O/c1-12(14-3-2-8-18-11-14)9-16(20)19-10-13-4-6-15(17)7-5-13/h2-8,11-12H,9-10H2,1H3,(H,19,20)
InChIKeyKJQSCPXGJJYQRL-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110647997
N-(2-methylpropyl)-3-pyridin-3-ylbutanamide
CID 110647374
N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7227476
3-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 45142910
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 7087516
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]oxamide
CID 27554903
N-[(4-methoxyphenyl)methyl]-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97347952

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide (CID 110648100) is N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide is CC(CC(=O)NCc1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide?
The InChIKey is KJQSCPXGJJYQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-12(14-3-2-8-18-11-14)9-16(20)19-10-13-4-6-15(17)7-5-13/h2-8,11-12H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide?
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide has a molecular weight of 272.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide is sourced from PubChem (CID 110648100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).