2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide

C14H20FNO2 — CID 103861403

IUPAC2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-11(10-17)3-2-8-16-14(18)9-12-4-6-13(15)7-5-12/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyCEKDETWJWKEKJW-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.89
Rot. Bonds7

About 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide

2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103861403) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103861403
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-11(10-17)3-2-8-16-14(18)9-12-4-6-13(15)7-5-12/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyCEKDETWJWKEKJW-UHFFFAOYSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95741027
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
CID 114150778
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103861403) is 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is CEKDETWJWKEKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(10-17)3-2-8-16-14(18)9-12-4-6-13(15)7-5-12/h4-7,11,17H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 253.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103861403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).