1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C25H26FN3O3 — CID 53155872

IUPAC1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CCC3)C2)c(F)c1
InChIInChI=1S/C25H26FN3O3/c1-15-5-7-21(20(26)11-15)27-24(31)18-13-23(30)29(14-18)19-6-8-22-17(12-19)9-10-28(22)25(32)16-3-2-4-16/h5-8,11-12,16,18H,2-4,9-10,13-14H2,1H3,(H,27,31)
InChIKeyOAFCFGUOGRGSGE-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.81
Rot. Bonds4

About 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155872) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53155872
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CCC3)C2)c(F)c1
InChIInChI=1S/C25H26FN3O3/c1-15-5-7-21(20(26)11-15)27-24(31)18-13-23(30)29(14-18)19-6-8-22-17(12-19)9-10-28(22)25(32)16-3-2-4-16/h5-8,11-12,16,18H,2-4,9-10,13-14H2,1H3,(H,27,31)
InChIKeyOAFCFGUOGRGSGE-UHFFFAOYSA-N
XLogP3.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155646
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098377
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155837
(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098830
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 53155757
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098606
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098335
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155696
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155643
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 53155872) is 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(=O)C3CCC3)C2)c(F)c1.
What is the InChIKey of 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OAFCFGUOGRGSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-15-5-7-21(20(26)11-15)27-24(31)18-13-23(30)29(14-18)19-6-8-22-17(12-19)9-10-28(22)25(32)16-3-2-4-16/h5-8,11-12,16,18H,2-4,9-10,13-14H2,1H3,(H,27,31).
What are the key properties of 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).