9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide

C23H28FNO4 — CID 58536953

IUPAC9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCC(O)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1
InChIInChI=1S/C23H28FNO4/c1-23(28,19-13-15-20(24)16-14-19)18-11-9-17(10-12-18)21(26)7-5-3-2-4-6-8-22(27)25-29/h9-16,28-29H,2-8H2,1H3,(H,25,27)
InChIKeyZJGSFSOUUZATJH-UHFFFAOYSA-N
MW401.48 g/mol
LogP4.50
Rot. Bonds11

About 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58536953) has the molecular formula C23H28FNO4 and a molecular weight of 401.48 g/mol. Its IUPAC name is 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58536953
Molecular FormulaC23H28FNO4
Molecular Weight401.48 g/mol
Exact Mass401.20
IUPAC Name9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCC(O)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1
InChIInChI=1S/C23H28FNO4/c1-23(28,19-13-15-20(24)16-14-19)18-11-9-17(10-12-18)21(26)7-5-3-2-4-6-8-22(27)25-29/h9-16,28-29H,2-8H2,1H3,(H,25,27)
InChIKeyZJGSFSOUUZATJH-UHFFFAOYSA-N
XLogP4.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58537022
9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536963
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
7-(4-tert-butylphenyl)-7-oxoheptanal
CID 129295941
4-tert-butylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43218954
N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110303265

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58536953) is 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide is CC(O)(c1ccc(F)cc1)c1ccc(C(=O)CCCCCCCC(=O)NO)cc1.
What is the InChIKey of 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is ZJGSFSOUUZATJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO4/c1-23(28,19-13-15-20(24)16-14-19)18-11-9-17(10-12-18)21(26)7-5-3-2-4-6-8-22(27)25-29/h9-16,28-29H,2-8H2,1H3,(H,25,27).
What are the key properties of 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 401.48 g/mol, XLogP of 4.50, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58536953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).