4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H20FNO5S — CID 91663369

IUPAC4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(Oc2ccccc2F)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H20FNO5S/c1-18(17(21)20-22,26(2,23)24)12-11-13-7-9-14(10-8-13)25-16-6-4-3-5-15(16)19/h3-10,22H,11-12H2,1-2H3,(H,20,21)
InChIKeyFIXKQMONTCJVPL-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.86
Rot. Bonds7

About 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 91663369) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID91663369
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Name4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(Oc2ccccc2F)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H20FNO5S/c1-18(17(21)20-22,26(2,23)24)12-11-13-7-9-14(10-8-13)25-16-6-4-3-5-15(16)19/h3-10,22H,11-12H2,1-2H3,(H,20,21)
InChIKeyFIXKQMONTCJVPL-UHFFFAOYSA-N
XLogP2.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 91663369) is 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(Oc2ccccc2F)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is FIXKQMONTCJVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-18(17(21)20-22,26(2,23)24)12-11-13-7-9-14(10-8-13)25-16-6-4-3-5-15(16)19/h3-10,22H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 381.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).