3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide

C10H11FN4O2 — CID 143768763

IUPAC3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide
SMILESNNC(=O)N1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C10H11FN4O2/c11-7-2-1-3-8(6-7)14-4-5-15(10(14)17)9(16)13-12/h1-3,6H,4-5,12H2,(H,13,16)
InChIKeyXFAQRBJHZAHYAZ-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.65
Rot. Bonds1

About 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide

3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide (PubChem CID 143768763) has the molecular formula C10H11FN4O2 and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide
PubChem CID143768763
Molecular FormulaC10H11FN4O2
Molecular Weight238.22 g/mol
Exact Mass238.09
IUPAC Name3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide
SMILESNNC(=O)N1CCN(c2cccc(F)c2)C1=O
InChIInChI=1S/C10H11FN4O2/c11-7-2-1-3-8(6-7)14-4-5-15(10(14)17)9(16)13-12/h1-3,6H,4-5,12H2,(H,13,16)
InChIKeyXFAQRBJHZAHYAZ-UHFFFAOYSA-N
XLogP0.65
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one
CID 145225860
3-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]benzoic acid
CID 10064450
2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84788522
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431
3-(3-fluorophenyl)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009751
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 7546804
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742
(3S,5R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 7546893
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
(4aS)-5-[2-[2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]ethylamino]acetyl]-2,3-dioxo-7,7a-dihydro-6H-[1,4]dioxino[2,3-b]pyrrole-4a-carbonitrile
CID 141308508

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide?
The IUPAC name of 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide (CID 143768763) is 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide?
The canonical SMILES for 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide is NNC(=O)N1CCN(c2cccc(F)c2)C1=O.
What is the InChIKey of 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide?
The InChIKey is XFAQRBJHZAHYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2/c11-7-2-1-3-8(6-7)14-4-5-15(10(14)17)9(16)13-12/h1-3,6H,4-5,12H2,(H,13,16).
What are the key properties of 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide?
3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide has a molecular weight of 238.22 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide is sourced from PubChem (CID 143768763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).