4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide

C21H19FN2O2 — CID 135335735

IUPAC4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
SMILESO=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H19FN2O2/c22-21-19(4-2-14-23-21)16-8-6-15(7-9-16)3-1-5-20(26)24-17-10-12-18(25)13-11-17/h2,4,6-14,25H,1,3,5H2,(H,24,26)
InChIKeyULZGONBLGFFMKX-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.55
Rot. Bonds6

About 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide

4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide (PubChem CID 135335735) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
PubChem CID135335735
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
SMILESO=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H19FN2O2/c22-21-19(4-2-14-23-21)16-8-6-15(7-9-16)3-1-5-20(26)24-17-10-12-18(25)13-11-17/h2,4,6-14,25H,1,3,5H2,(H,24,26)
InChIKeyULZGONBLGFFMKX-UHFFFAOYSA-N
XLogP4.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The IUPAC name of 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide (CID 135335735) is 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The canonical SMILES for 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide is O=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The InChIKey is ULZGONBLGFFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-21-19(4-2-14-23-21)16-8-6-15(7-9-16)3-1-5-20(26)24-17-10-12-18(25)13-11-17/h2,4,6-14,25H,1,3,5H2,(H,24,26).
What are the key properties of 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide has a molecular weight of 350.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide is sourced from PubChem (CID 135335735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).