N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

C23H20FN3O3 — CID 42961337

IUPACN-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NN2C(=O)CC(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C23H20FN3O3/c1-14-12-19(15(2)26(14)18-10-8-17(24)9-11-18)22(29)25-27-21(28)13-20(23(27)30)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3,(H,25,29)
InChIKeyCJMATBKPCBXGDL-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.42
Rot. Bonds4

About N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide

N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 42961337) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID42961337
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC NameN-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NN2C(=O)CC(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C23H20FN3O3/c1-14-12-19(15(2)26(14)18-10-8-17(24)9-11-18)22(29)25-27-21(28)13-20(23(27)30)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3,(H,25,29)
InChIKeyCJMATBKPCBXGDL-UHFFFAOYSA-N
XLogP3.42
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 47101401
1-(4-fluorophenyl)-2,5-dimethyl-N-pyridin-4-ylpyrrole-3-carboxamide
CID 39954277
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 2572789
N-[1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-4-yl]benzamide
CID 18268324
1-(4-fluorophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide;hydrochloride
CID 119502796
5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]pentanoic acid
CID 119234411
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 110654721
2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217378
N-(3-cyanophenyl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 26775683
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(methylamino)ethanone
CID 53355375
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 60553560
N-[(2S)-2,3-dihydroxypropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 97003402

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 42961337) is N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NN2C(=O)CC(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is CJMATBKPCBXGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-14-12-19(15(2)26(14)18-10-8-17(24)9-11-18)22(29)25-27-21(28)13-20(23(27)30)16-6-4-3-5-7-16/h3-12,20H,13H2,1-2H3,(H,25,29).
What are the key properties of N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide?
N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 42961337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).