2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide

C14H20FNO2 — CID 24991368

IUPAC2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide
SMILESCCCCC(Cc1ccc(F)c(C)c1)C(=O)NO
InChIInChI=1S/C14H20FNO2/c1-3-4-5-12(14(17)16-18)9-11-6-7-13(15)10(2)8-11/h6-8,12,18H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyFUGWOYDBOKFHMT-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.99
Rot. Bonds6

About 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide

2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide (PubChem CID 24991368) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide
PubChem CID24991368
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide
SMILESCCCCC(Cc1ccc(F)c(C)c1)C(=O)NO
InChIInChI=1S/C14H20FNO2/c1-3-4-5-12(14(17)16-18)9-11-6-7-13(15)10(2)8-11/h6-8,12,18H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyFUGWOYDBOKFHMT-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide (CID 24991368) is 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide is CCCCC(Cc1ccc(F)c(C)c1)C(=O)NO.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide?
The InChIKey is FUGWOYDBOKFHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-4-5-12(14(17)16-18)9-11-6-7-13(15)10(2)8-11/h6-8,12,18H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide?
2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide has a molecular weight of 253.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)methyl]-N-hydroxyhexanamide is sourced from PubChem (CID 24991368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).