N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C22H22FN3O3 — CID 91956078

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3F)cc21
InChIInChI=1S/C22H22FN3O3/c1-22(2)15-11-14(7-8-17(15)25-21(22)29)24-20(28)18-9-10-19(27)26(18)12-13-5-3-4-6-16(13)23/h3-8,11,18H,9-10,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyCJZLRYMNKYJZBV-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.19
Rot. Bonds4

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 91956078) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID91956078
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3F)cc21
InChIInChI=1S/C22H22FN3O3/c1-22(2)15-11-14(7-8-17(15)25-21(22)29)24-20(28)18-9-10-19(27)26(18)12-13-5-3-4-6-16(13)23/h3-8,11,18H,9-10,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyCJZLRYMNKYJZBV-UHFFFAOYSA-N
XLogP3.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110612890
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
CID 110405697
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110426208
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 91956097
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110427077
N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955924
2-(2-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110777106
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide
CID 110405726
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110627221

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 91956078) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CC1(C)C(=O)Nc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3F)cc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CJZLRYMNKYJZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-22(2)15-11-14(7-8-17(15)25-21(22)29)24-20(28)18-9-10-19(27)26(18)12-13-5-3-4-6-16(13)23/h3-8,11,18H,9-10,12H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91956078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).