1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one

C34H30F2N2O2 — CID 67359459

IUPAC1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C34H30F2N2O2/c35-29-15-11-27(12-16-29)34(28-13-17-30(36)18-14-28)20-22-37(32(34)40)23-31(39)38-21-19-33(24-38,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18H,19-24H2
InChIKeyAAFPOIMGIYIDHC-UHFFFAOYSA-N
MW536.62 g/mol
LogP5.70
Rot. Bonds6

About 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one

1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 67359459) has the molecular formula C34H30F2N2O2 and a molecular weight of 536.62 g/mol. Its IUPAC name is 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
PubChem CID67359459
Molecular FormulaC34H30F2N2O2
Molecular Weight536.62 g/mol
Exact Mass536.23
IUPAC Name1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C34H30F2N2O2/c35-29-15-11-27(12-16-29)34(28-13-17-30(36)18-14-28)20-22-37(32(34)40)23-31(39)38-21-19-33(24-38,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18H,19-24H2
InChIKeyAAFPOIMGIYIDHC-UHFFFAOYSA-N
XLogP5.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one (CID 67359459) is 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one is O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is AAFPOIMGIYIDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N2O2/c35-29-15-11-27(12-16-29)34(28-13-17-30(36)18-14-28)20-22-37(32(34)40)23-31(39)38-21-19-33(24-38,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18H,19-24H2.
What are the key properties of 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one?
1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 536.62 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 67359459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).