9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide

C30H33F2NO4 — CID 58537022

IUPAC9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCc1cc(F)ccc1C(O)(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)c1ccc(F)cc1C
InChIInChI=1S/C30H33F2NO4/c1-20-18-24(31)14-16-26(20)30(36,27-17-15-25(32)19-21(27)2)23-12-10-22(11-13-23)28(34)8-6-4-3-5-7-9-29(35)33-37/h10-19,36-37H,3-9H2,1-2H3,(H,33,35)
InChIKeyJLIISHSKQBUCIT-UHFFFAOYSA-N
MW509.59 g/mol
LogP6.28
Rot. Bonds12

About 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide

9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide (PubChem CID 58537022) has the molecular formula C30H33F2NO4 and a molecular weight of 509.59 g/mol. Its IUPAC name is 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide.

Molecular Properties

Compound Name9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
PubChem CID58537022
Molecular FormulaC30H33F2NO4
Molecular Weight509.59 g/mol
Exact Mass509.24
IUPAC Name9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide
SMILESCc1cc(F)ccc1C(O)(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)c1ccc(F)cc1C
InChIInChI=1S/C30H33F2NO4/c1-20-18-24(31)14-16-26(20)30(36,27-17-15-25(32)19-21(27)2)23-12-10-22(11-13-23)28(34)8-6-4-3-5-7-9-29(35)33-37/h10-19,36-37H,3-9H2,1-2H3,(H,33,35)
InChIKeyJLIISHSKQBUCIT-UHFFFAOYSA-N
XLogP6.28
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 56.28
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'}

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Related Compounds

9-[4-[1-(4-fluorophenyl)-1-hydroxyethyl]phenyl]-N-hydroxy-9-oxononanamide
CID 58536953
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
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide
CID 157444540
N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110618430
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
1-(4-fluoro-2-methylphenyl)hexan-1-one
CID 71197787
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(5-fluoro-2-methylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969054
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263

Frequently Asked Questions

What is the IUPAC name of 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The IUPAC name of 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide (CID 58537022) is 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide.
What is the SMILES notation for 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The canonical SMILES for 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide is Cc1cc(F)ccc1C(O)(c1ccc(C(=O)CCCCCCCC(=O)NO)cc1)c1ccc(F)cc1C.
What is the InChIKey of 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
The InChIKey is JLIISHSKQBUCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2NO4/c1-20-18-24(31)14-16-26(20)30(36,27-17-15-25(32)19-21(27)2)23-12-10-22(11-13-23)28(34)8-6-4-3-5-7-9-29(35)33-37/h10-19,36-37H,3-9H2,1-2H3,(H,33,35).
What are the key properties of 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide?
9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide has a molecular weight of 509.59 g/mol, XLogP of 6.28, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[bis(4-fluoro-2-methylphenyl)-hydroxymethyl]phenyl]-N-hydroxy-9-oxononanamide is sourced from PubChem (CID 58537022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).