1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H21FN2O3 — CID 55748710

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1F
InChIInChI=1S/C21H21FN2O3/c1-27-19-8-6-16(11-18(19)22)23-21(26)15-10-20(25)24(12-15)17-7-5-13-3-2-4-14(13)9-17/h5-9,11,15H,2-4,10,12H2,1H3,(H,23,26)
InChIKeyLYKVZTLDDCJAQL-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.31
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55748710) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55748710
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1F
InChIInChI=1S/C21H21FN2O3/c1-27-19-8-6-16(11-18(19)22)23-21(26)15-10-20(25)24(12-15)17-7-5-13-3-2-4-14(13)9-17/h5-9,11,15H,2-4,10,12H2,1H3,(H,23,26)
InChIKeyLYKVZTLDDCJAQL-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155837
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 43059825
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46581440
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
N-(3,4-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46538978
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46671621
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098431

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55748710) is 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)cc1F.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LYKVZTLDDCJAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-27-19-8-6-16(11-18(19)22)23-21(26)15-10-20(25)24(12-15)17-7-5-13-3-2-4-14(13)9-17/h5-9,11,15H,2-4,10,12H2,1H3,(H,23,26).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55748710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).