9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide

C29H29F4NO4 — CID 58537000

IUPAC9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCOC(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)(c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C29H29F4NO4/c1-38-29(23-15-13-21(30)17-25(23)32,24-16-14-22(31)18-26(24)33)20-11-9-19(10-12-20)27(35)7-5-3-2-4-6-8-28(36)34-37/h9-18,37H,2-8H2,1H3,(H,34,36)
InChIKeyAVWBMVXXJPBRSK-UHFFFAOYSA-N
MW531.55 g/mol
LogP6.60
Rot. Bonds13

About 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58537000) has the molecular formula C29H29F4NO4 and a molecular weight of 531.55 g/mol. Its IUPAC name is 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58537000
Molecular FormulaC29H29F4NO4
Molecular Weight531.55 g/mol
Exact Mass531.20
IUPAC Name9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCOC(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)(c1ccc(F)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C29H29F4NO4/c1-38-29(23-15-13-21(30)17-25(23)32,24-16-14-22(31)18-26(24)33)20-11-9-19(10-12-20)27(35)7-5-3-2-4-6-8-28(36)34-37/h9-18,37H,2-8H2,1H3,(H,34,36)
InChIKeyAVWBMVXXJPBRSK-UHFFFAOYSA-N
XLogP6.60
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.55
LogP ≤ 56.60
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(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58537000) is 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide is COC(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)(c1ccc(F)cc1F)c1ccc(F)cc1F.
What is the InChIKey of 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is AVWBMVXXJPBRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4NO4/c1-38-29(23-15-13-21(30)17-25(23)32,24-16-14-22(31)18-26(24)33)20-11-9-19(10-12-20)27(35)7-5-3-2-4-6-8-28(36)34-37/h9-18,37H,2-8H2,1H3,(H,34,36).
What are the key properties of 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 531.55 g/mol, XLogP of 6.60, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58537000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).