4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H21F2NO5S — CID 91663418

IUPAC4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2ccc(F)cc2F)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H21F2NO5S/c1-19(18(23)22-24,28(2,25)26)10-9-13-3-7-16(8-4-13)27-12-14-5-6-15(20)11-17(14)21/h3-8,11,24H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyWOKBTMIHDWDQQW-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.79
Rot. Bonds8

About 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 91663418) has the molecular formula C19H21F2NO5S and a molecular weight of 413.44 g/mol. Its IUPAC name is 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID91663418
Molecular FormulaC19H21F2NO5S
Molecular Weight413.44 g/mol
Exact Mass413.11
IUPAC Name4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2ccc(F)cc2F)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H21F2NO5S/c1-19(18(23)22-24,28(2,25)26)10-9-13-3-7-16(8-4-13)27-12-14-5-6-15(20)11-17(14)21/h3-8,11,24H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyWOKBTMIHDWDQQW-UHFFFAOYSA-N
XLogP2.79
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.79
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-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 91663418) is 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(OCc2ccc(F)cc2F)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is WOKBTMIHDWDQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO5S/c1-19(18(23)22-24,28(2,25)26)10-9-13-3-7-16(8-4-13)27-12-14-5-6-15(20)11-17(14)21/h3-8,11,24H,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 413.44 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).