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

C17H16FN3O4 — CID 85040463

IUPAC1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NO)C1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1
InChIInChI=1S/C17H16FN3O4/c18-12-3-7-14(8-4-12)25-13-5-1-11(2-6-13)9-21-10-15(16(22)20-24)19-17(21)23/h1-8,15,24H,9-10H2,(H,19,23)(H,20,22)
InChIKeyNBBPYGNNDFCNNP-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.02
Rot. Bonds5

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

1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide (PubChem CID 85040463) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
PubChem CID85040463
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NO)C1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1
InChIInChI=1S/C17H16FN3O4/c18-12-3-7-14(8-4-12)25-13-5-1-11(2-6-13)9-21-10-15(16(22)20-24)19-17(21)23/h1-8,15,24H,9-10H2,(H,19,23)(H,20,22)
InChIKeyNBBPYGNNDFCNNP-UHFFFAOYSA-N
XLogP2.02
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide (CID 85040463) is 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide is O=C(NO)C1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1.
What is the InChIKey of 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
The InChIKey is NBBPYGNNDFCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c18-12-3-7-14(8-4-12)25-13-5-1-11(2-6-13)9-21-10-15(16(22)20-24)19-17(21)23/h1-8,15,24H,9-10H2,(H,19,23)(H,20,22).
What are the key properties of 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide?
1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenoxy)phenyl]methyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 85040463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).