1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide

C19H18F2N2O3 — CID 136578737

IUPAC1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)C1CCN(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C19H18F2N2O3/c20-15-7-6-13(10-16(15)21)23-9-8-14(19(23)26)18(25)22-11-17(24)12-4-2-1-3-5-12/h1-7,10,14,17,24H,8-9,11H2,(H,22,25)
InChIKeyHCAQNRWBIUWNOM-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.17
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide

1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 136578737) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID136578737
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)C1CCN(c2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C19H18F2N2O3/c20-15-7-6-13(10-16(15)21)23-9-8-14(19(23)26)18(25)22-11-17(24)12-4-2-1-3-5-12/h1-7,10,14,17,24H,8-9,11H2,(H,22,25)
InChIKeyHCAQNRWBIUWNOM-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide (CID 136578737) is 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCC(O)c1ccccc1)C1CCN(c2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HCAQNRWBIUWNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c20-15-7-6-13(10-16(15)21)23-9-8-14(19(23)26)18(25)22-11-17(24)12-4-2-1-3-5-12/h1-7,10,14,17,24H,8-9,11H2,(H,22,25).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide?
1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 136578737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).