(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C21H21FN2O2 — CID 97194074

IUPAC(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-23(18-9-6-17(22)7-10-18)21(26)16-12-20(25)24(13-16)19-8-5-14-3-2-4-15(14)11-19/h5-11,16H,2-4,12-13H2,1H3/t16-/m1/s1
InChIKeyCRWXNJBHMVDNOS-MRXNPFEDSA-N
MW352.41 g/mol
LogP3.33
Rot. Bonds3

About (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97194074) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97194074
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(F)cc1
InChIInChI=1S/C21H21FN2O2/c1-23(18-9-6-17(22)7-10-18)21(26)16-12-20(25)24(13-16)19-8-5-14-3-2-4-15(14)11-19/h5-11,16H,2-4,12-13H2,1H3/t16-/m1/s1
InChIKeyCRWXNJBHMVDNOS-MRXNPFEDSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353111
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
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
(4-methylphenyl) 1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 43059386
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 166358922
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 34319195

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 97194074) is (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(F)cc1.
What is the InChIKey of (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CRWXNJBHMVDNOS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-23(18-9-6-17(22)7-10-18)21(26)16-12-20(25)24(13-16)19-8-5-14-3-2-4-15(14)11-19/h5-11,16H,2-4,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97194074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).