9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide

C27H29FN2O4 — CID 58536963

IUPAC9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESO=C(CCCCCCCC(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1)NO
InChIInChI=1S/C27H29FN2O4/c28-23-17-15-22(16-18-23)27(33,25-9-6-7-19-29-25)21-13-11-20(12-14-21)24(31)8-4-2-1-3-5-10-26(32)30-34/h6-7,9,11-19,33-34H,1-5,8,10H2,(H,30,32)
InChIKeyKRQPEGZETMSOQB-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.92
Rot. Bonds12

About 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58536963) has the molecular formula C27H29FN2O4 and a molecular weight of 464.54 g/mol. Its IUPAC name is 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58536963
Molecular FormulaC27H29FN2O4
Molecular Weight464.54 g/mol
Exact Mass464.21
IUPAC Name9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESO=C(CCCCCCCC(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1)NO
InChIInChI=1S/C27H29FN2O4/c28-23-17-15-22(16-18-23)27(33,25-9-6-7-19-29-25)21-13-11-20(12-14-21)24(31)8-4-2-1-3-5-10-26(32)30-34/h6-7,9,11-19,33-34H,1-5,8,10H2,(H,30,32)
InChIKeyKRQPEGZETMSOQB-UHFFFAOYSA-N
XLogP4.92
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536953
9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58537022
5-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
CID 110298088
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(1-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 58536943
1-(4-fluorophenyl)-4-pyridin-2-ylsulfanylbutan-1-one
CID 43218452
N-hydroxy-8-(2-methylsulfanyl-3-pyridinyl)-8-oxooctanamide
CID 58982080
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
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58536963) is 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide is O=C(CCCCCCCC(=O)c1ccc(C(O)(c2ccc(F)cc2)c2ccccn2)cc1)NO.
What is the InChIKey of 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is KRQPEGZETMSOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4/c28-23-17-15-22(16-18-23)27(33,25-9-6-7-19-29-25)21-13-11-20(12-14-21)24(31)8-4-2-1-3-5-10-26(32)30-34/h6-7,9,11-19,33-34H,1-5,8,10H2,(H,30,32).
What are the key properties of 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 464.54 g/mol, XLogP of 4.92, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(4-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58536963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).