(4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide

C17H16FN3O3 — CID 12971985

IUPAC(4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NO)[C@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)N1
InChIInChI=1S/C17H16FN3O3/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-21-10-15(16(22)20-24)19-17(21)23/h1-8,15,24H,9-10H2,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyXGSYUAINDUGIHK-OAHLLOKOSA-N
MW329.33 g/mol
LogP1.89
Rot. Bonds4

About (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide

(4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide (PubChem CID 12971985) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
PubChem CID12971985
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NO)[C@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)N1
InChIInChI=1S/C17H16FN3O3/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-21-10-15(16(22)20-24)19-17(21)23/h1-8,15,24H,9-10H2,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyXGSYUAINDUGIHK-OAHLLOKOSA-N
XLogP1.89
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide (CID 12971985) is (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide is O=C(NO)[C@H]1CN(Cc2ccc(-c3ccc(F)cc3)cc2)C(=O)N1.
What is the InChIKey of (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The InChIKey is XGSYUAINDUGIHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-21-10-15(16(22)20-24)19-17(21)23/h1-8,15,24H,9-10H2,(H,19,23)(H,20,22)/t15-/m1/s1.
What are the key properties of (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
(4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 12971985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).