N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide

C11H12FN3O3 — CID 142448524

IUPACN'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
SMILESO=C1NCC(O)C1C(=O)NNc1ccccc1F
InChIInChI=1S/C11H12FN3O3/c12-6-3-1-2-4-7(6)14-15-11(18)9-8(16)5-13-10(9)17/h1-4,8-9,14,16H,5H2,(H,13,17)(H,15,18)
InChIKeyPOIGPKAWYKZBMC-UHFFFAOYSA-N
MW253.23 g/mol
LogP-0.62
Rot. Bonds3

About N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide

N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide (PubChem CID 142448524) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
PubChem CID142448524
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC NameN'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
SMILESO=C1NCC(O)C1C(=O)NNc1ccccc1F
InChIInChI=1S/C11H12FN3O3/c12-6-3-1-2-4-7(6)14-15-11(18)9-8(16)5-13-10(9)17/h1-4,8-9,14,16H,5H2,(H,13,17)(H,15,18)
InChIKeyPOIGPKAWYKZBMC-UHFFFAOYSA-N
XLogP-0.62
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N'-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carbohydrazide
CID 142448506
N'-(3-chloro-2-methylphenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448508
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491
4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
CID 135352294
(3R,4S)-4-(3,4-difluorophenyl)-2-oxo-N'-phenylpyrrolidine-3-carbohydrazide
CID 135352296
N'-cyclopentyl-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448510
4-hydroxy-2-oxo-N'-phenylpiperidine-3-carbohydrazide
CID 142448588
N-(benzenesulfonyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 137474003
N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide
CID 166309332
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142439377
N-(4-chlorophenoxy)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142448486
(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134411870

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide (CID 142448524) is N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide is O=C1NCC(O)C1C(=O)NNc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide?
The InChIKey is POIGPKAWYKZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-6-3-1-2-4-7(6)14-15-11(18)9-8(16)5-13-10(9)17/h1-4,8-9,14,16H,5H2,(H,13,17)(H,15,18).
What are the key properties of N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide?
N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide has a molecular weight of 253.23 g/mol, XLogP of -0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 142448524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).