N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide

C19H18FN3O3 — CID 51145340

IUPACN'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1
InChIInChI=1S/C19H18FN3O3/c1-12-6-8-14(9-7-12)23-11-13(10-17(23)24)18(25)21-22-19(26)15-4-2-3-5-16(15)20/h2-9,13H,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyDYYHGVQJNIUZLI-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.95
Rot. Bonds3

About N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide

N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 51145340) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID51145340
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1
InChIInChI=1S/C19H18FN3O3/c1-12-6-8-14(9-7-12)23-11-13(10-17(23)24)18(25)21-22-19(26)15-4-2-3-5-16(15)20/h2-9,13H,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyDYYHGVQJNIUZLI-UHFFFAOYSA-N
XLogP1.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24686411
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9471840
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78812975
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 55346229
(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 35552842
(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822792
(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822791
1-(4-fluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 9469288
1-[(4-fluorophenyl)methyl]-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 8942444
(3R)-N'-[4-(diethylamino)benzoyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9155875

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 51145340) is N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is Cc1ccc(N2CC(C(=O)NNC(=O)c3ccccc3F)CC2=O)cc1.
What is the InChIKey of N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is DYYHGVQJNIUZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-6-8-14(9-7-12)23-11-13(10-17(23)24)18(25)21-22-19(26)15-4-2-3-5-16(15)20/h2-9,13H,10-11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 355.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 51145340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).