3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one

C20H17ClF2N2O2 — CID 45274508

IUPAC3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccc(F)cc2Cl)C1=O)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C20H17ClF2N2O2/c21-18-8-15(23)3-4-16(18)17-5-6-24(20(17)27)11-19(26)25-9-12-1-2-14(22)7-13(12)10-25/h1-4,7-8,17H,5-6,9-11H2
InChIKeyBPPCSFPLZMNJQX-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.48
Rot. Bonds3

About 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one

3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 45274508) has the molecular formula C20H17ClF2N2O2 and a molecular weight of 390.82 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID45274508
Molecular FormulaC20H17ClF2N2O2
Molecular Weight390.82 g/mol
Exact Mass390.09
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccc(F)cc2Cl)C1=O)N1Cc2ccc(F)cc2C1
InChIInChI=1S/C20H17ClF2N2O2/c21-18-8-15(23)3-4-16(18)17-5-6-24(20(17)27)11-19(26)25-9-12-1-2-14(22)7-13(12)10-25/h1-4,7-8,17H,5-6,9-11H2
InChIKeyBPPCSFPLZMNJQX-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one (CID 45274508) is 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one is O=C(CN1CCC(c2ccc(F)cc2Cl)C1=O)N1Cc2ccc(F)cc2C1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is BPPCSFPLZMNJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O2/c21-18-8-15(23)3-4-16(18)17-5-6-24(20(17)27)11-19(26)25-9-12-1-2-14(22)7-13(12)10-25/h1-4,7-8,17H,5-6,9-11H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one?
3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 390.82 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 45274508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).