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

C19H18FN3O3 — CID 24686411

IUPACN'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C19H18FN3O3/c1-12-2-8-16(9-3-12)23-11-14(10-17(23)24)19(26)22-21-18(25)13-4-6-15(20)7-5-13/h2-9,14H,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyNLOYVWGDYZFFEM-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.95
Rot. Bonds3

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

N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 24686411) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID24686411
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1
InChIInChI=1S/C19H18FN3O3/c1-12-2-8-16(9-3-12)23-11-14(10-17(23)24)19(26)22-21-18(25)13-4-6-15(20)7-5-13/h2-9,14H,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyNLOYVWGDYZFFEM-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

(3R)-N'-[4-(diethylamino)benzoyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9155875
1-(4-fluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 9469288
N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51145340
(3S)-N'-(4-fluorobenzoyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbohydrazide
CID 2460845
1-[(4-fluorophenyl)methyl]-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea
CID 8942444
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78812975
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(3R)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 126159471
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9471840
N'-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]quinoline-2-carbohydrazide
CID 55346229
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55949729

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 24686411) is N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is Cc1ccc(N2CC(C(=O)NNC(=O)c3ccc(F)cc3)CC2=O)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is NLOYVWGDYZFFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-2-8-16(9-3-12)23-11-14(10-17(23)24)19(26)22-21-18(25)13-4-6-15(20)7-5-13/h2-9,14H,10-11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide?
N'-(4-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'-(4-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 24686411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).