N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide

C11H12FN3O3 — CID 166309332

IUPACN'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNc1ccccc1F)C1CC(=O)N(O)C1
InChIInChI=1S/C11H12FN3O3/c12-8-3-1-2-4-9(8)13-14-11(17)7-5-10(16)15(18)6-7/h1-4,7,13,18H,5-6H2,(H,14,17)
InChIKeyKXFGHCQETBDTNT-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.51
Rot. Bonds3

About N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide

N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 166309332) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide
PubChem CID166309332
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC NameN'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNc1ccccc1F)C1CC(=O)N(O)C1
InChIInChI=1S/C11H12FN3O3/c12-8-3-1-2-4-9(8)13-14-11(17)7-5-10(16)15(18)6-7/h1-4,7,13,18H,5-6H2,(H,14,17)
InChIKeyKXFGHCQETBDTNT-UHFFFAOYSA-N
XLogP0.51
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.51
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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Related Compounds

N-(2-fluorophenyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189954
N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448524
1-butan-2-yl-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182188
(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2585689
1-(2,3-dimethylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997101
N-(2-bromophenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183492
(3S)-N-(2-fluorophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7456530
methyl 2-[[1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183484
methyl 2-[[1-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192341
1-[(2-fluorophenyl)methyl]-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113183477
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
CID 95247764
ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185239

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide (CID 166309332) is N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide is O=C(NNc1ccccc1F)C1CC(=O)N(O)C1.
What is the InChIKey of N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is KXFGHCQETBDTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-8-3-1-2-4-9(8)13-14-11(17)7-5-10(16)15(18)6-7/h1-4,7,13,18H,5-6H2,(H,14,17).
What are the key properties of N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide?
N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 253.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-1-hydroxy-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 166309332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).