1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one

C20H17Cl2FN2O2 — CID 67357359

IUPAC1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1Cc2ccc(F)cc2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2FN2O2/c21-16-6-4-12(8-17(16)22)20-15-9-14(23)5-3-13(15)10-25(20)19(27)11-24-7-1-2-18(24)26/h3-6,8-9,20H,1-2,7,10-11H2
InChIKeyVJMHQRKTYRYOMB-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.19
Rot. Bonds3

About 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 67357359) has the molecular formula C20H17Cl2FN2O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID67357359
Molecular FormulaC20H17Cl2FN2O2
Molecular Weight407.27 g/mol
Exact Mass406.07
IUPAC Name1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1Cc2ccc(F)cc2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2FN2O2/c21-16-6-4-12(8-17(16)22)20-15-9-14(23)5-3-13(15)10-25(20)19(27)11-24-7-1-2-18(24)26/h3-6,8-9,20H,1-2,7,10-11H2
InChIKeyVJMHQRKTYRYOMB-UHFFFAOYSA-N
XLogP4.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[(3,4-Dichlorophenyl)methyl]-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one
CID 45267261
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2,3-dihydro-1H-isoindole-1-carbonyl)pyrrolidine-2-carboxamide
CID 74221593
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-[(1S)-2,3-dihydro-1H-isoindole-1-carbonyl]pyrrolidine-2-carboxamide
CID 131636467
2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,6S)-6-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetamide;hydrochloride
CID 45265421
US11583538, Example 20
CID 155768083
US11407721, Example 77
CID 90371776
US11407721, Example 76
CID 90371978
2-[1-(3,4-dichlorophenyl)but-3-enyl]-6-fluoro-3-methyl-3H-isoindol-1-one
CID 17877120
3-[1-(3,4-dichlorophenyl)but-3-enyl]-5-fluoro-2-methyl-3H-isoindol-1-one
CID 21839793
2-(3,4-dichlorophenyl)-N-methyl-N-[(5S,6S)-6-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetamide
CID 44376098
3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydro-2H-isoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one
CID 45274508
1-[(3S,4R)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidin-1-yl]-5-pyrrolidin-1-ylpentan-1-one
CID 46209293

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one (CID 67357359) is 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1Cc2ccc(F)cc2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is VJMHQRKTYRYOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN2O2/c21-16-6-4-12(8-17(16)22)20-15-9-14(23)5-3-13(15)10-25(20)19(27)11-24-7-1-2-18(24)26/h3-6,8-9,20H,1-2,7,10-11H2.
What are the key properties of 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 407.27 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,4-dichlorophenyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 67357359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).