4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H19F2NO5S — CID 91663374

IUPAC4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(Oc2cccc(F)c2F)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H19F2NO5S/c1-18(17(22)21-23,27(2,24)25)11-10-12-6-8-13(9-7-12)26-15-5-3-4-14(19)16(15)20/h3-9,23H,10-11H2,1-2H3,(H,21,22)
InChIKeyNFKVQXMJDSMECP-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.00
Rot. Bonds7

About 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 91663374) has the molecular formula C18H19F2NO5S and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID91663374
Molecular FormulaC18H19F2NO5S
Molecular Weight399.42 g/mol
Exact Mass399.10
IUPAC Name4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(Oc2cccc(F)c2F)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H19F2NO5S/c1-18(17(22)21-23,27(2,24)25)11-10-12-6-8-13(9-7-12)26-15-5-3-4-14(19)16(15)20/h3-9,23H,10-11H2,1-2H3,(H,21,22)
InChIKeyNFKVQXMJDSMECP-UHFFFAOYSA-N
XLogP3.00
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.00
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-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 91663374) is 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(Oc2cccc(F)c2F)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is NFKVQXMJDSMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO5S/c1-18(17(22)21-23,27(2,24)25)11-10-12-6-8-13(9-7-12)26-15-5-3-4-14(19)16(15)20/h3-9,23H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 399.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).