4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide

C17H19FN2O2 — CID 86920418

IUPAC4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)NCCc1ccccn1
InChIInChI=1S/C17H19FN2O2/c18-14-6-8-16(9-7-14)22-13-3-5-17(21)20-12-10-15-4-1-2-11-19-15/h1-2,4,6-9,11H,3,5,10,12-13H2,(H,20,21)
InChIKeyMIFXULUEKQWXAA-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.74
Rot. Bonds8

About 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide

4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 86920418) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID86920418
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)NCCc1ccccn1
InChIInChI=1S/C17H19FN2O2/c18-14-6-8-16(9-7-14)22-13-3-5-17(21)20-12-10-15-4-1-2-11-19-15/h1-2,4,6-9,11H,3,5,10,12-13H2,(H,20,21)
InChIKeyMIFXULUEKQWXAA-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.74
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-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 78784602
3-(4-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)propanamide
CID 51072652
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 112837134
2-(2,4-difluorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 31971931
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 86874580
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide (CID 86920418) is 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide is O=C(CCCOc1ccc(F)cc1)NCCc1ccccn1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is MIFXULUEKQWXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-6-8-16(9-7-14)22-13-3-5-17(21)20-12-10-15-4-1-2-11-19-15/h1-2,4,6-9,11H,3,5,10,12-13H2,(H,20,21).
What are the key properties of 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 302.35 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 86920418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).