2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide

C16H12FN3O4 — CID 167914870

IUPAC2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide
SMILESNC(=O)c1cc(N2C(=O)NC(c3cccc(O)c3)C2=O)ccc1F
InChIInChI=1S/C16H12FN3O4/c17-12-5-4-9(7-11(12)14(18)22)20-15(23)13(19-16(20)24)8-2-1-3-10(21)6-8/h1-7,13,21H,(H2,18,22)(H,19,24)
InChIKeyYHCAUYNMXUACOT-UHFFFAOYSA-N
MW329.29 g/mol
LogP1.43
Rot. Bonds3

About 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide

2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide (PubChem CID 167914870) has the molecular formula C16H12FN3O4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide
PubChem CID167914870
Molecular FormulaC16H12FN3O4
Molecular Weight329.29 g/mol
Exact Mass329.08
IUPAC Name2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide
SMILESNC(=O)c1cc(N2C(=O)NC(c3cccc(O)c3)C2=O)ccc1F
InChIInChI=1S/C16H12FN3O4/c17-12-5-4-9(7-11(12)14(18)22)20-15(23)13(19-16(20)24)8-2-1-3-10(21)6-8/h1-7,13,21H,(H2,18,22)(H,19,24)
InChIKeyYHCAUYNMXUACOT-UHFFFAOYSA-N
XLogP1.43
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide?
The IUPAC name of 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide (CID 167914870) is 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide?
The canonical SMILES for 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide is NC(=O)c1cc(N2C(=O)NC(c3cccc(O)c3)C2=O)ccc1F.
What is the InChIKey of 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide?
The InChIKey is YHCAUYNMXUACOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4/c17-12-5-4-9(7-11(12)14(18)22)20-15(23)13(19-16(20)24)8-2-1-3-10(21)6-8/h1-7,13,21H,(H2,18,22)(H,19,24).
What are the key properties of 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide?
2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide has a molecular weight of 329.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-(3-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 167914870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).