N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide

C24H20F2N2O3 — CID 122604449

IUPACN-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1NCC(c2cccc(COc3ccccc3)c2)C1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C24H20F2N2O3/c25-17-9-10-21(20(26)12-17)28-24(30)22-19(13-27-23(22)29)16-6-4-5-15(11-16)14-31-18-7-2-1-3-8-18/h1-12,19,22H,13-14H2,(H,27,29)(H,28,30)
InChIKeyIOJFVHITPLDABA-UHFFFAOYSA-N
MW422.43 g/mol
LogP4.01
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide

N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 122604449) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID122604449
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC NameN-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1NCC(c2cccc(COc3ccccc3)c2)C1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C24H20F2N2O3/c25-17-9-10-21(20(26)12-17)28-24(30)22-19(13-27-23(22)29)16-6-4-5-15(11-16)14-31-18-7-2-1-3-8-18/h1-12,19,22H,13-14H2,(H,27,29)(H,28,30)
InChIKeyIOJFVHITPLDABA-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 54.01
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 N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide (CID 122604449) is N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide is O=C1NCC(c2cccc(COc3ccccc3)c2)C1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is IOJFVHITPLDABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c25-17-9-10-21(20(26)12-17)28-24(30)22-19(13-27-23(22)29)16-6-4-5-15(11-16)14-31-18-7-2-1-3-8-18/h1-12,19,22H,13-14H2,(H,27,29)(H,28,30).
What are the key properties of N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide?
N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 422.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-oxo-4-[3-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 122604449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).