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

C14H20FNO2 — CID 113340863

IUPAC2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)Cc1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-11(10-17)5-4-8-16-14(18)9-12-6-2-3-7-13(12)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyDVXUOWSWVLXJQJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.89
Rot. Bonds7

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

2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 113340863) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID113340863
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCC(CO)CCCNC(=O)Cc1ccccc1F
InChIInChI=1S/C14H20FNO2/c1-11(10-17)5-4-8-16-14(18)9-12-6-2-3-7-13(12)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,18)
InChIKeyDVXUOWSWVLXJQJ-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

2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
CID 38450332
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862038
N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
CID 103861423
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103862006
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 113340863) is 2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide is CC(CO)CCCNC(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is DVXUOWSWVLXJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(10-17)5-4-8-16-14(18)9-12-6-2-3-7-13(12)15/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,18).
What are the key properties of 2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(2-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-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 113340863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).