2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide

C18H26FNO3 — CID 22452338

IUPAC2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide
SMILESO=C(NO)C(CC(O)CCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H26FNO3/c19-17-9-5-4-8-14(17)10-11-15(21)12-16(18(22)20-23)13-6-2-1-3-7-13/h4-5,8-9,13,15-16,21,23H,1-3,6-7,10-12H2,(H,20,22)
InChIKeyYIUKJHNQRWVWMK-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.21
Rot. Bonds7

About 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide

2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide (PubChem CID 22452338) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide.

Molecular Properties

Compound Name2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide
PubChem CID22452338
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide
SMILESO=C(NO)C(CC(O)CCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H26FNO3/c19-17-9-5-4-8-14(17)10-11-15(21)12-16(18(22)20-23)13-6-2-1-3-7-13/h4-5,8-9,13,15-16,21,23H,1-3,6-7,10-12H2,(H,20,22)
InChIKeyYIUKJHNQRWVWMK-UHFFFAOYSA-N
XLogP3.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide?
The IUPAC name of 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide (CID 22452338) is 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide.
What is the SMILES notation for 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide?
The canonical SMILES for 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide is O=C(NO)C(CC(O)CCc1ccccc1F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide?
The InChIKey is YIUKJHNQRWVWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c19-17-9-5-4-8-14(17)10-11-15(21)12-16(18(22)20-23)13-6-2-1-3-7-13/h4-5,8-9,13,15-16,21,23H,1-3,6-7,10-12H2,(H,20,22).
What are the key properties of 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide?
2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide has a molecular weight of 323.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide is sourced from PubChem (CID 22452338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).