4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide

C20H18FNO3 — CID 25468956

IUPAC4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C20H18FNO3/c21-14-7-9-15(10-8-14)25-13-3-6-20(24)22-18-11-12-19(23)17-5-2-1-4-16(17)18/h1-2,4-5,7-12,23H,3,6,13H2,(H,22,24)
InChIKeyBKHYAUBIWTWPDM-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.48
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide

4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide (PubChem CID 25468956) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide
PubChem CID25468956
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1ccc(O)c2ccccc12
InChIInChI=1S/C20H18FNO3/c21-14-7-9-15(10-8-14)25-13-3-6-20(24)22-18-11-12-19(23)17-5-2-1-4-16(17)18/h1-2,4-5,7-12,23H,3,6,13H2,(H,22,24)
InChIKeyBKHYAUBIWTWPDM-UHFFFAOYSA-N
XLogP4.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-(2,3-dichlorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46534875
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 55906665
4-(4-bromophenoxy)-N-(2,4-difluorophenyl)butanamide
CID 3411864
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666
4-(4-fluorophenoxy)-N-pyridin-4-ylbutanamide
CID 39953910
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143
4-hydroxy-3-(4-phenoxybutanoylamino)benzoic acid
CID 108753979
4-(4-bromophenoxy)-N-(4-fluoro-2-methylphenyl)butanamide
CID 2526499

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide (CID 25468956) is 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide is O=C(CCCOc1ccc(F)cc1)Nc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide?
The InChIKey is BKHYAUBIWTWPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c21-14-7-9-15(10-8-14)25-13-3-6-20(24)22-18-11-12-19(23)17-5-2-1-4-16(17)18/h1-2,4-5,7-12,23H,3,6,13H2,(H,22,24).
What are the key properties of 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide?
4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide has a molecular weight of 339.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(4-hydroxynaphthalen-1-yl)butanamide is sourced from PubChem (CID 25468956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).