5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide

C23H27FN4O4 — CID 146449907

IUPAC5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3C(=O)NCC3(C)C)n(C)c2C)ccc1F
InChIInChI=1S/C23H27FN4O4/c1-11-9-14(7-8-15(11)24)26-20(30)16-12(2)17(28(6)13(16)3)18(29)21(31)27-19-22(32)25-10-23(19,4)5/h7-9,19H,10H2,1-6H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyZCGLTCCHPHNGFL-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.17
Rot. Bonds5

About 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide

5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide (PubChem CID 146449907) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
PubChem CID146449907
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3C(=O)NCC3(C)C)n(C)c2C)ccc1F
InChIInChI=1S/C23H27FN4O4/c1-11-9-14(7-8-15(11)24)26-20(30)16-12(2)17(28(6)13(16)3)18(29)21(31)27-19-22(32)25-10-23(19,4)5/h7-9,19H,10H2,1-6H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyZCGLTCCHPHNGFL-UHFFFAOYSA-N
XLogP2.17
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide?
The IUPAC name of 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide (CID 146449907) is 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide is Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3C(=O)NCC3(C)C)n(C)c2C)ccc1F.
What is the InChIKey of 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide?
The InChIKey is ZCGLTCCHPHNGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-11-9-14(7-8-15(11)24)26-20(30)16-12(2)17(28(6)13(16)3)18(29)21(31)27-19-22(32)25-10-23(19,4)5/h7-9,19H,10H2,1-6H3,(H,25,32)(H,26,30)(H,27,31).
What are the key properties of 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide?
5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 146449907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).