2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide

C24H20FN3O3 — CID 23972511

IUPAC2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(N2C(=O)CC(N(Cc3cccnc3)C(=O)c3ccccc3F)C2=O)cc1
InChIInChI=1S/C24H20FN3O3/c1-16-8-10-18(11-9-16)28-22(29)13-21(24(28)31)27(15-17-5-4-12-26-14-17)23(30)19-6-2-3-7-20(19)25/h2-12,14,21H,13,15H2,1H3
InChIKeyQDOKSHDHYHXVIN-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.50
Rot. Bonds5

About 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide

2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 23972511) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID23972511
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(N2C(=O)CC(N(Cc3cccnc3)C(=O)c3ccccc3F)C2=O)cc1
InChIInChI=1S/C24H20FN3O3/c1-16-8-10-18(11-9-16)28-22(29)13-21(24(28)31)27(15-17-5-4-12-26-14-17)23(30)19-6-2-3-7-20(19)25/h2-12,14,21H,13,15H2,1H3
InChIKeyQDOKSHDHYHXVIN-UHFFFAOYSA-N
XLogP3.50
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 23944662
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 23803496
ethyl 4-[3-[benzyl-(2-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23774432
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 23860826
N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
2-fluoro-N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972507
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 25049309
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 23972707
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 25049124
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 25043380
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 23972511) is 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(N2C(=O)CC(N(Cc3cccnc3)C(=O)c3ccccc3F)C2=O)cc1.
What is the InChIKey of 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QDOKSHDHYHXVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-16-8-10-18(11-9-16)28-22(29)13-21(24(28)31)27(15-17-5-4-12-26-14-17)23(30)19-6-2-3-7-20(19)25/h2-12,14,21H,13,15H2,1H3.
What are the key properties of 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide?
2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 417.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 23972511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).