4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide

C16H17FN2O2 — CID 52714970

IUPAC4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccnc(NC(=O)CCCOc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-12-7-8-18-15(10-12)19-16(20)6-3-9-21-14-5-2-4-13(17)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,18,19,20)
InChIKeyIVHXJMIILFFOJZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.33
Rot. Bonds6

About 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide

4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide (PubChem CID 52714970) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide
PubChem CID52714970
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide
SMILESCc1ccnc(NC(=O)CCCOc2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O2/c1-12-7-8-18-15(10-12)19-16(20)6-3-9-21-14-5-2-4-13(17)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,18,19,20)
InChIKeyIVHXJMIILFFOJZ-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

4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 51188569
3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960
4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 52717221
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
CID 55973897
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide
CID 60549753
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
3-(3-fluorophenoxy)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691171
2-[4-(3-fluorophenoxy)butanoylamino]-3-methylpentanoic acid
CID 119211432

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide (CID 52714970) is 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide is Cc1ccnc(NC(=O)CCCOc2cccc(F)c2)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide?
The InChIKey is IVHXJMIILFFOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-12-7-8-18-15(10-12)19-16(20)6-3-9-21-14-5-2-4-13(17)11-14/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,18,19,20).
What are the key properties of 4-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide?
4-(3-fluorophenoxy)-N-(4-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-(3-fluorophenoxy)-N-(4-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 52714970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).