4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide

C15H15FN2O2 — CID 39953910

IUPAC4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1ccncc1
InChIInChI=1S/C15H15FN2O2/c16-12-3-5-14(6-4-12)20-11-1-2-15(19)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,19)
InChIKeyJQLSIBUBJYBLLU-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.02
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide

4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide (PubChem CID 39953910) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
PubChem CID39953910
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1ccncc1
InChIInChI=1S/C15H15FN2O2/c16-12-3-5-14(6-4-12)20-11-1-2-15(19)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,19)
InChIKeyJQLSIBUBJYBLLU-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
CID 32945767
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
CID 19191108
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
4-(4-ethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 19173503
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide (CID 39953910) is 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide is O=C(CCCOc1ccc(F)cc1)Nc1ccncc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide?
The InChIKey is JQLSIBUBJYBLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-3-5-14(6-4-12)20-11-1-2-15(19)18-13-7-9-17-10-8-13/h3-10H,1-2,11H2,(H,17,18,19).
What are the key properties of 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide?
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide has a molecular weight of 274.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 39953910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).