N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C22H22FN3O2 — CID 20915757

IUPACN-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C
InChIInChI=1S/C22H22FN3O2/c1-3-14-7-4-5-8-17(14)24-22(28)21-20(26-12-6-9-19(26)27)16-13-15(23)10-11-18(16)25(21)2/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,24,28)
InChIKeyHENKNQLNRIYQMZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.26
Rot. Bonds4

About N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915757) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID20915757
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C
InChIInChI=1S/C22H22FN3O2/c1-3-14-7-4-5-8-17(14)24-22(28)21-20(26-12-6-9-19(26)27)16-13-15(23)10-11-18(16)25(21)2/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,24,28)
InChIKeyHENKNQLNRIYQMZ-UHFFFAOYSA-N
XLogP4.26
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.26
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
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
CID 46277037
N-(2,5-dimethoxyphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277032
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
5-methoxy-N-(3-methoxyphenyl)-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915810
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277068
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915835
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
N-(4-ethoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915906
1-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915958

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915757) is N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCc1ccccc1NC(=O)c1c(N2CCCC2=O)c2cc(F)ccc2n1C.
What is the InChIKey of N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is HENKNQLNRIYQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-3-14-7-4-5-8-17(14)24-22(28)21-20(26-12-6-9-19(26)27)16-13-15(23)10-11-18(16)25(21)2/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,24,28).
What are the key properties of N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).