9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide

C29H31F2NO4 — CID 58536951

IUPAC9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCOC(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C29H31F2NO4/c1-36-29(23-9-7-11-25(30)19-23,24-10-8-12-26(31)20-24)22-17-15-21(16-18-22)27(33)13-5-3-2-4-6-14-28(34)32-35/h7-12,15-20,35H,2-6,13-14H2,1H3,(H,32,34)
InChIKeyVRSRHMHKBZEFAT-UHFFFAOYSA-N
MW495.57 g/mol
LogP6.32
Rot. Bonds13

About 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58536951) has the molecular formula C29H31F2NO4 and a molecular weight of 495.57 g/mol. Its IUPAC name is 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58536951
Molecular FormulaC29H31F2NO4
Molecular Weight495.57 g/mol
Exact Mass495.22
IUPAC Name9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCOC(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C29H31F2NO4/c1-36-29(23-9-7-11-25(30)19-23,24-10-8-12-26(31)20-24)22-17-15-21(16-18-22)27(33)13-5-3-2-4-6-14-28(34)32-35/h7-12,15-20,35H,2-6,13-14H2,1H3,(H,32,34)
InChIKeyVRSRHMHKBZEFAT-UHFFFAOYSA-N
XLogP6.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.57
LogP ≤ 56.32
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58536951) is 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide is COC(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is VRSRHMHKBZEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2NO4/c1-36-29(23-9-7-11-25(30)19-23,24-10-8-12-26(31)20-24)22-17-15-21(16-18-22)27(33)13-5-3-2-4-6-14-28(34)32-35/h7-12,15-20,35H,2-6,13-14H2,1H3,(H,32,34).
What are the key properties of 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 495.57 g/mol, XLogP of 6.32, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58536951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).