4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide

C22H20FNO2 — CID 11382492

IUPAC4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)
InChIKeyODYAQBDIXCVKAE-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.16
Rot. Bonds6

About 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide

4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide (PubChem CID 11382492) has the molecular formula C22H20FNO2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide
PubChem CID11382492
Molecular FormulaC22H20FNO2
Molecular Weight349.41 g/mol
Exact Mass349.15
IUPAC Name4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26)
InChIKeyODYAQBDIXCVKAE-UHFFFAOYSA-N
XLogP5.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide (CID 11382492) is 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide is O=C(CCCc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
The InChIKey is ODYAQBDIXCVKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2/c23-21-6-2-1-5-20(21)17-10-8-16(9-11-17)4-3-7-22(26)24-18-12-14-19(25)15-13-18/h1-2,5-6,8-15,25H,3-4,7H2,(H,24,26).
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide?
4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide has a molecular weight of 349.41 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]-N-(4-hydroxyphenyl)butanamide is sourced from PubChem (CID 11382492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).