ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate

C22H23F2NO3 — CID 132547904

IUPACethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate
SMILESCCOC(=O)C(F)(F)CC(c1ccc(-c2ccccc2)cc1)N1CCCC1=O
InChIInChI=1S/C22H23F2NO3/c1-2-28-21(27)22(23,24)15-19(25-14-6-9-20(25)26)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3
InChIKeyLDYYNSFPMFSQTG-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.61
Rot. Bonds7

About ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate

ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate (PubChem CID 132547904) has the molecular formula C22H23F2NO3 and a molecular weight of 387.43 g/mol. Its IUPAC name is ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate
PubChem CID132547904
Molecular FormulaC22H23F2NO3
Molecular Weight387.43 g/mol
Exact Mass387.16
IUPAC Nameethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate
SMILESCCOC(=O)C(F)(F)CC(c1ccc(-c2ccccc2)cc1)N1CCCC1=O
InChIInChI=1S/C22H23F2NO3/c1-2-28-21(27)22(23,24)15-19(25-14-6-9-20(25)26)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3
InChIKeyLDYYNSFPMFSQTG-UHFFFAOYSA-N
XLogP4.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate?
The IUPAC name of ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate (CID 132547904) is ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate.
What is the SMILES notation for ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate?
The canonical SMILES for ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate is CCOC(=O)C(F)(F)CC(c1ccc(-c2ccccc2)cc1)N1CCCC1=O.
What is the InChIKey of ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate?
The InChIKey is LDYYNSFPMFSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2NO3/c1-2-28-21(27)22(23,24)15-19(25-14-6-9-20(25)26)18-12-10-17(11-13-18)16-7-4-3-5-8-16/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3.
What are the key properties of ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate?
ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate has a molecular weight of 387.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-4-(2-oxopyrrolidin-1-yl)-4-(4-phenylphenyl)butanoate is sourced from PubChem (CID 132547904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).