2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid

C18H15F2NO3 — CID 67357191

IUPAC2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H15F2NO3/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)9-10-21(17(18)24)11-16(22)23/h1-8H,9-11H2,(H,22,23)
InChIKeyJVOUTROOOSGYCH-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.57
Rot. Bonds4

About 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid

2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid (PubChem CID 67357191) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
PubChem CID67357191
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC Name2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O
InChIInChI=1S/C18H15F2NO3/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)9-10-21(17(18)24)11-16(22)23/h1-8H,9-11H2,(H,22,23)
InChIKeyJVOUTROOOSGYCH-UHFFFAOYSA-N
XLogP2.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
CID 67359459
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 67444981
1-[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-3,3-bis(4-fluorophenyl)pyrrolidin-2-one
CID 56961908
2-[(7S)-7-(dimethylamino)-2-oxo-7-phenyl-1,3-diazonan-1-yl]acetic acid
CID 170235286
2-(7-fluoro-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)acetic acid
CID 115041933
2-(7-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)acetic acid
CID 83848758
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
4,4-bis(4-fluorophenyl)cyclohexan-1-one
CID 21295671
3-[2-(azetidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51334274
2-(5,8-difluoro-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82279707
2-[4-(4-fluorophenyl)-2,6-dioxopiperazin-1-yl]acetic acid
CID 82346522

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid (CID 67357191) is 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid is O=C(O)CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is JVOUTROOOSGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3/c19-14-5-1-12(2-6-14)18(13-3-7-15(20)8-4-13)9-10-21(17(18)24)11-16(22)23/h1-8H,9-11H2,(H,22,23).
What are the key properties of 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid?
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 331.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 67357191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).