5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide

C23H24FN3O2 — CID 46277037

IUPAC5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c(C)c1
InChIInChI=1S/C23H24FN3O2/c1-13-10-14(2)20(15(3)11-13)25-23(29)22-21(27-9-5-6-19(27)28)17-12-16(24)7-8-18(17)26(22)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,25,29)
InChIKeyUMRJSHVZNPZKGE-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.62
Rot. Bonds3

About 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide

5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide (PubChem CID 46277037) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
PubChem CID46277037
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c(C)c1
InChIInChI=1S/C23H24FN3O2/c1-13-10-14(2)20(15(3)11-13)25-23(29)22-21(27-9-5-6-19(27)28)17-12-16(24)7-8-18(17)26(22)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,25,29)
InChIKeyUMRJSHVZNPZKGE-UHFFFAOYSA-N
XLogP4.62
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-propylindole-2-carboxamide
CID 20915763
N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915757
N-(1,3-benzodioxol-5-yl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277042
5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915765
N-(2,5-dimethoxyphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277032
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
N-(4-methoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915892
5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915810
N-(3-chloro-4-methylphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915839
N-(4-ethoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915906
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277068
1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277103

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide (CID 46277037) is 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide is Cc1cc(C)c(NC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c(C)c1.
What is the InChIKey of 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide?
The InChIKey is UMRJSHVZNPZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-13-10-14(2)20(15(3)11-13)25-23(29)22-21(27-9-5-6-19(27)28)17-12-16(24)7-8-18(17)26(22)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,25,29).
What are the key properties of 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide?
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide is sourced from PubChem (CID 46277037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).