2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide

C22H24FN3O5 — CID 76578003

IUPAC2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N1C(=O)NC(COCc2ccc(-c3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C22H24FN3O5/c1-13(2)19(20(27)25-30)26-21(28)18(24-22(26)29)12-31-11-14-6-8-15(9-7-14)16-4-3-5-17(23)10-16/h3-10,13,18-19,30H,11-12H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyGHMBPJQDSOAIRU-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.46
Rot. Bonds8

About 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide

2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide (PubChem CID 76578003) has the molecular formula C22H24FN3O5 and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
PubChem CID76578003
Molecular FormulaC22H24FN3O5
Molecular Weight429.45 g/mol
Exact Mass429.17
IUPAC Name2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(C(=O)NO)N1C(=O)NC(COCc2ccc(-c3cccc(F)c3)cc2)C1=O
InChIInChI=1S/C22H24FN3O5/c1-13(2)19(20(27)25-30)26-21(28)18(24-22(26)29)12-31-11-14-6-8-15(9-7-14)16-4-3-5-17(23)10-16/h3-10,13,18-19,30H,11-12H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyGHMBPJQDSOAIRU-UHFFFAOYSA-N
XLogP2.46
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'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 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide (CID 76578003) is 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide is CC(C)C(C(=O)NO)N1C(=O)NC(COCc2ccc(-c3cccc(F)c3)cc2)C1=O.
What is the InChIKey of 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
The InChIKey is GHMBPJQDSOAIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5/c1-13(2)19(20(27)25-30)26-21(28)18(24-22(26)29)12-31-11-14-6-8-15(9-7-14)16-4-3-5-17(23)10-16/h3-10,13,18-19,30H,11-12H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide?
2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide has a molecular weight of 429.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-fluorophenyl)phenyl]methoxymethyl]-2,5-dioxoimidazolidin-1-yl]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 76578003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).