4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide

C16H17FN2O2 — CID 52714969

IUPAC4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccccc2F)nc1
InChIInChI=1S/C16H17FN2O2/c1-12-8-9-15(18-11-12)19-16(20)7-4-10-21-14-6-3-2-5-13(14)17/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,19,20)
InChIKeyNKJKLMXSFDBFLE-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.33
Rot. Bonds6

About 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide

4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide (PubChem CID 52714969) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
PubChem CID52714969
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccccc2F)nc1
InChIInChI=1S/C16H17FN2O2/c1-12-8-9-15(18-11-12)19-16(20)7-4-10-21-14-6-3-2-5-13(14)17/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,19,20)
InChIKeyNKJKLMXSFDBFLE-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.33
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

N-(5-methyl-2-pyridinyl)-3-(2-phenylphenoxy)propanamide
CID 52710581
6-methoxy-N-(5-methyl-2-pyridinyl)hexanamide
CID 158537293
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 100830989
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400
4-(2-fluorophenoxy)-N-(2-methylpyrazol-3-yl)butanamide
CID 110473898
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
2-[4-[4-(2-fluorophenoxy)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697596
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide (CID 52714969) is 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide is Cc1ccc(NC(=O)CCCOc2ccccc2F)nc1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide?
The InChIKey is NKJKLMXSFDBFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-12-8-9-15(18-11-12)19-16(20)7-4-10-21-14-6-3-2-5-13(14)17/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,19,20).
What are the key properties of 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide?
4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide has a molecular weight of 288.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 52714969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).