9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide

C29H31F2NO4 — CID 160984360

IUPAC9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESO=C(CCCCCCCC(=O)c1ccc(C(CO)(c2cccc(F)c2)c2cccc(F)c2)cc1)NO
InChIInChI=1S/C29H31F2NO4/c30-25-10-6-8-23(18-25)29(20-33,24-9-7-11-26(31)19-24)22-16-14-21(15-17-22)27(34)12-4-2-1-3-5-13-28(35)32-36/h6-11,14-19,33,36H,1-5,12-13,20H2,(H,32,35)
InChIKeySZXUYMLNRPHVQQ-UHFFFAOYSA-N
MW495.57 g/mol
LogP5.71
Rot. Bonds13

About 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 160984360) has the molecular formula C29H31F2NO4 and a molecular weight of 495.57 g/mol. Its IUPAC name is 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID160984360
Molecular FormulaC29H31F2NO4
Molecular Weight495.57 g/mol
Exact Mass495.22
IUPAC Name9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESO=C(CCCCCCCC(=O)c1ccc(C(CO)(c2cccc(F)c2)c2cccc(F)c2)cc1)NO
InChIInChI=1S/C29H31F2NO4/c30-25-10-6-8-23(18-25)29(20-33,24-9-7-11-26(31)19-24)22-16-14-21(15-17-22)27(34)12-4-2-1-3-5-13-28(35)32-36/h6-11,14-19,33,36H,1-5,12-13,20H2,(H,32,35)
InChIKeySZXUYMLNRPHVQQ-UHFFFAOYSA-N
XLogP5.71
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.57
LogP ≤ 55.71
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-[4-[3-Amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]ethyl]phenyl]-(4-fluorophenyl)methanone
CID 46195027
[4-[4-[3-Amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-3-fluorophenyl]-(4-methylphenyl)methanone
CID 24852152
9-[4-[bis(3-fluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536951
9-[4-[bis(3-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536952
9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536953
9-[4-[ethoxy-(4-fluorophenyl)-phenylmethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536968
9-[4-[(1R)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536980
9-[4-[bis(2-fluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536982
9-[4-[bis(2,4-difluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536984
9-[4-[(1S)-1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536987
9-[4-[bis(2,4-difluorophenyl)-methoxymethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58537000
9-[4-[bis(3,5-difluorophenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58537009

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 160984360) is 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide is O=C(CCCCCCCC(=O)c1ccc(C(CO)(c2cccc(F)c2)c2cccc(F)c2)cc1)NO.
What is the InChIKey of 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is SZXUYMLNRPHVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2NO4/c30-25-10-6-8-23(18-25)29(20-33,24-9-7-11-26(31)19-24)22-16-14-21(15-17-22)27(34)12-4-2-1-3-5-13-28(35)32-36/h6-11,14-19,33,36H,1-5,12-13,20H2,(H,32,35).
What are the key properties of 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 495.57 g/mol, XLogP of 5.71, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1,1-bis(3-fluorophenyl)-2-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 160984360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).