4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H20FNO4S — CID 51355298

IUPAC4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccccc2)cc1F)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H20FNO4S/c1-18(17(21)20-22,25(2,23)24)11-10-14-8-9-15(12-16(14)19)13-6-4-3-5-7-13/h3-9,12,22H,10-11H2,1-2H3,(H,20,21)
InChIKeyIQRSIWOZEFCTBQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.73
Rot. Bonds6

About 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 51355298) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID51355298
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccccc2)cc1F)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H20FNO4S/c1-18(17(21)20-22,25(2,23)24)11-10-14-8-9-15(12-16(14)19)13-6-4-3-5-7-13/h3-9,12,22H,10-11H2,1-2H3,(H,20,21)
InChIKeyIQRSIWOZEFCTBQ-UHFFFAOYSA-N
XLogP2.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.73
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-[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-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851059
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-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 51355298) is 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccccc2)cc1F)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is IQRSIWOZEFCTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-18(17(21)20-22,25(2,23)24)11-10-14-8-9-15(12-16(14)19)13-6-4-3-5-7-13/h3-9,12,22H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 365.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-phenylphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 51355298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).