N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide

C16H12F3N3O2 — CID 166883397

IUPACN-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESO=CNC1CCN(c2ccc(-c3cccnc3F)c(F)c2F)C1=O
InChIInChI=1S/C16H12F3N3O2/c17-13-9(10-2-1-6-20-15(10)19)3-4-12(14(13)18)22-7-5-11(16(22)24)21-8-23/h1-4,6,8,11H,5,7H2,(H,21,23)
InChIKeyJHZKOKCIYUFSLZ-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.02
Rot. Bonds4

About N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide

N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide (PubChem CID 166883397) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide
PubChem CID166883397
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESO=CNC1CCN(c2ccc(-c3cccnc3F)c(F)c2F)C1=O
InChIInChI=1S/C16H12F3N3O2/c17-13-9(10-2-1-6-20-15(10)19)3-4-12(14(13)18)22-7-5-11(16(22)24)21-8-23/h1-4,6,8,11H,5,7H2,(H,21,23)
InChIKeyJHZKOKCIYUFSLZ-UHFFFAOYSA-N
XLogP2.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide (CID 166883397) is N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide is O=CNC1CCN(c2ccc(-c3cccnc3F)c(F)c2F)C1=O.
What is the InChIKey of N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide?
The InChIKey is JHZKOKCIYUFSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-13-9(10-2-1-6-20-15(10)19)3-4-12(14(13)18)22-7-5-11(16(22)24)21-8-23/h1-4,6,8,11H,5,7H2,(H,21,23).
What are the key properties of N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide?
N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide has a molecular weight of 335.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide is sourced from PubChem (CID 166883397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).