4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H19FN2O4S — CID 88851131

IUPAC4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(C#N)cc2)cc1F)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H19FN2O4S/c1-19(18(23)22-24,27(2,25)26)10-9-15-7-8-16(11-17(15)20)14-5-3-13(12-21)4-6-14/h3-8,11,24H,9-10H2,1-2H3,(H,22,23)
InChIKeyPKEFDNYCAICKPV-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.61
Rot. Bonds6

About 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88851131) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88851131
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(C#N)cc2)cc1F)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H19FN2O4S/c1-19(18(23)22-24,27(2,25)26)10-9-15-7-8-16(11-17(15)20)14-5-3-13(12-21)4-6-14/h3-8,11,24H,9-10H2,1-2H3,(H,22,23)
InChIKeyPKEFDNYCAICKPV-UHFFFAOYSA-N
XLogP2.61
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.61
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-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88851131) is 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc(C#N)cc2)cc1F)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is PKEFDNYCAICKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-19(18(23)22-24,27(2,25)26)10-9-15-7-8-16(11-17(15)20)14-5-3-13(12-21)4-6-14/h3-8,11,24H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 390.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88851131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).