1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one

C9H8FN3O3 — CID 115370462

IUPAC1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8FN3O3/c10-7-2-1-6(5-8(7)13(15)16)12-4-3-11-9(12)14/h1-2,5H,3-4H2,(H,11,14)
InChIKeyNXCIUJJHCNBLAD-UHFFFAOYSA-N
MW225.18 g/mol
LogP1.26
Rot. Bonds2

About 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one

1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one (PubChem CID 115370462) has the molecular formula C9H8FN3O3 and a molecular weight of 225.18 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one
PubChem CID115370462
Molecular FormulaC9H8FN3O3
Molecular Weight225.18 g/mol
Exact Mass225.05
IUPAC Name1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one
SMILESO=C1NCCN1c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C9H8FN3O3/c10-7-2-1-6(5-8(7)13(15)16)12-4-3-11-9(12)14/h1-2,5H,3-4H2,(H,11,14)
InChIKeyNXCIUJJHCNBLAD-UHFFFAOYSA-N
XLogP1.26
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-1,3-diazinan-2-one
CID 115370833
1-(4-fluoro-3-nitrophenyl)pyrrole-2,5-dione
CID 2783302
(2,4-dinitrophenyl) 4-(2-oxoimidazolidin-1-yl)benzenesulfonate
CID 89251732
1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
CID 20785321
1-(4-fluoro-3-nitrophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709339
4-(4-fluoro-3-nitrobenzoyl)piperazin-2-one
CID 43215729
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806
1-(4-fluoro-3-nitrophenyl)-4-methyltetrazol-5-one
CID 58287202
1-(5-chloro-2-fluorophenyl)imidazolidin-2-one
CID 115370461
1-(4-fluoro-3-nitrophenyl)imidazole
CID 139799498
6-(4-fluoro-3-nitrophenyl)benzo[d][2]benzazepine-5,7-dione
CID 4592242
1-[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]imidazolidin-2-one;hydrochloride
CID 119418180

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one (CID 115370462) is 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one is O=C1NCCN1c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one?
The InChIKey is NXCIUJJHCNBLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3/c10-7-2-1-6(5-8(7)13(15)16)12-4-3-11-9(12)14/h1-2,5H,3-4H2,(H,11,14).
What are the key properties of 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one?
1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one has a molecular weight of 225.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)imidazolidin-2-one is sourced from PubChem (CID 115370462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).