5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C22H22FN3O2 — CID 20915765

IUPAC5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c1
InChIInChI=1S/C22H22FN3O2/c1-14-5-3-6-15(11-14)13-24-22(28)21-20(26-10-4-7-19(26)27)17-12-16(23)8-9-18(17)25(21)2/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,24,28)
InChIKeyJUVFKPQVBPQNLE-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.68
Rot. Bonds4

About 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 20915765) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID20915765
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCc1cccc(CNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c1
InChIInChI=1S/C22H22FN3O2/c1-14-5-3-6-15(11-14)13-24-22(28)21-20(26-10-4-7-19(26)27)17-12-16(23)8-9-18(17)25(21)2/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,24,28)
InChIKeyJUVFKPQVBPQNLE-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277068
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-(2,4,6-trimethylphenyl)indole-2-carboxamide
CID 46277037
N-(2-ethylphenyl)-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915757
N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915872
N-[2-(4-chlorophenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277095
N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915816
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
1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277103
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277131

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 20915765) is 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is Cc1cccc(CNC(=O)c2c(N3CCCC3=O)c3cc(F)ccc3n2C)c1.
What is the InChIKey of 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is JUVFKPQVBPQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-5-3-6-15(11-14)13-24-22(28)21-20(26-10-4-7-19(26)27)17-12-16(23)8-9-18(17)25(21)2/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,24,28).
What are the key properties of 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 20915765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).