4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H19F2NO4S — CID 88851059

IUPAC4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(F)cc2)c(F)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H19F2NO4S/c1-18(17(22)21-23,26(2,24)25)10-9-12-3-8-15(16(20)11-12)13-4-6-14(19)7-5-13/h3-8,11,23H,9-10H2,1-2H3,(H,21,22)
InChIKeyOPUDOLLQEUKKSF-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.87
Rot. Bonds6

About 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88851059) has the molecular formula C18H19F2NO4S and a molecular weight of 383.42 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88851059
Molecular FormulaC18H19F2NO4S
Molecular Weight383.42 g/mol
Exact Mass383.10
IUPAC Name4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(F)cc2)c(F)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H19F2NO4S/c1-18(17(22)21-23,26(2,24)25)10-9-12-3-8-15(16(20)11-12)13-4-6-14(19)7-5-13/h3-8,11,23H,9-10H2,1-2H3,(H,21,22)
InChIKeyOPUDOLLQEUKKSF-UHFFFAOYSA-N
XLogP2.87
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 56950734
(2R)-4-[4-(4-chlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 56950732
(2R)-4-Biphenyl-4-yl-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 51355576
(2R)-4-[4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 56950733
4-(3-Fluorobiphenyl-4-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 51355298
4-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76445446
4-[4-(3-chlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76445520
4-[4-(4-chlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76445590
4-(4-cyclohept-1-en-1-ylphenyl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 86668776
4-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851060
4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851073
4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851131

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88851059) is 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc(F)cc2)c(F)c1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is OPUDOLLQEUKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4S/c1-18(17(22)21-23,26(2,24)25)10-9-12-3-8-15(16(20)11-12)13-4-6-14(19)7-5-13/h3-8,11,23H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 383.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88851059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).