4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H22FNO5S — CID 91663394

IUPAC4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2cccc(F)c2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H22FNO5S/c1-19(18(22)21-23,27(2,24)25)11-10-14-6-8-17(9-7-14)26-13-15-4-3-5-16(20)12-15/h3-9,12,23H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyCWFHTQXIORDGHL-UHFFFAOYSA-N
MW395.45 g/mol
LogP2.65
Rot. Bonds8

About 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 91663394) has the molecular formula C19H22FNO5S and a molecular weight of 395.45 g/mol. Its IUPAC name is 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID91663394
Molecular FormulaC19H22FNO5S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2cccc(F)c2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H22FNO5S/c1-19(18(22)21-23,27(2,24)25)11-10-14-6-8-17(9-7-14)26-13-15-4-3-5-16(20)12-15/h3-9,12,23H,10-11,13H2,1-2H3,(H,21,22)
InChIKeyCWFHTQXIORDGHL-UHFFFAOYSA-N
XLogP2.65
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 52.65
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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Related Compounds

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(1-oxidopyridin-1-ium-4-yl)methoxy]phenyl]butanamide
CID 56951130
4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 51355855
4-[4-[(2-ethylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663429
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663402
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
4-[4-[[2-(2-fluorophenyl)-5-methyl-2,3-dihydro-1,3-oxazol-4-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663378
3-[4-[(3-fluorophenyl)methoxy]phenyl]propanoic acid
CID 11300296
2-[4-[(3-fluorophenyl)methoxy]phenyl]ethyl carbamate
CID 11687874
4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663399
[3-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-methyl-3-oxopropyl] methanesulfonate
CID 140987243
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 91663394) is 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(OCc2cccc(F)c2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CWFHTQXIORDGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5S/c1-19(18(22)21-23,27(2,24)25)11-10-14-6-8-17(9-7-14)26-13-15-4-3-5-16(20)12-15/h3-9,12,23H,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 395.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).