1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide

C22H20FN3O4 — CID 46422246

IUPAC1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3oc4ccccc4c3C)CC2=O)c(F)c1
InChIInChI=1S/C22H20FN3O4/c1-12-7-8-17(16(23)9-12)26-11-14(10-19(26)27)21(28)24-25-22(29)20-13(2)15-5-3-4-6-18(15)30-20/h3-9,14H,10-11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyOCSKULMZZVYTKN-UHFFFAOYSA-N
MW409.42 g/mol
LogP3.00
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide

1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 46422246) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID46422246
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Name1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(N2CC(C(=O)NNC(=O)c3oc4ccccc4c3C)CC2=O)c(F)c1
InChIInChI=1S/C22H20FN3O4/c1-12-7-8-17(16(23)9-12)26-11-14(10-19(26)27)21(28)24-25-22(29)20-13(2)15-5-3-4-6-18(15)30-20/h3-9,14H,10-11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyOCSKULMZZVYTKN-UHFFFAOYSA-N
XLogP3.00
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
1-(2-fluoro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55606546
N-[2-(benzenesulfonyl)ethyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55844211
1-(2-fluoro-4-methylphenyl)-N'-[2-(4-fluorophenoxy)propanoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 46407999
1-(2-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56517399
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55607434
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-fluoro-4-methylphenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56555209
N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51145340
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
N-(3,5-dimethoxyphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55604531

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide (CID 46422246) is 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide is Cc1ccc(N2CC(C(=O)NNC(=O)c3oc4ccccc4c3C)CC2=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is OCSKULMZZVYTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c1-12-7-8-17(16(23)9-12)26-11-14(10-19(26)27)21(28)24-25-22(29)20-13(2)15-5-3-4-6-18(15)30-20/h3-9,14H,10-11H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide?
1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 409.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 46422246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).