2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide

C17H10F3N3O2 — CID 71799796

IUPAC2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(F)cc1F
InChIInChI=1S/C17H10F3N3O2/c18-10-5-6-12(14(20)7-10)16(24)23-11-8-21-17(22-9-11)25-15-4-2-1-3-13(15)19/h1-9H,(H,23,24)
InChIKeyDWTMLGQZJFADIQ-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.94
Rot. Bonds4

About 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide

2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide (PubChem CID 71799796) has the molecular formula C17H10F3N3O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
PubChem CID71799796
Molecular FormulaC17H10F3N3O2
Molecular Weight345.28 g/mol
Exact Mass345.07
IUPAC Name2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(F)cc1F
InChIInChI=1S/C17H10F3N3O2/c18-10-5-6-12(14(20)7-10)16(24)23-11-8-21-17(22-9-11)25-15-4-2-1-3-13(15)19/h1-9H,(H,23,24)
InChIKeyDWTMLGQZJFADIQ-UHFFFAOYSA-N
XLogP3.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide (CID 71799796) is 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide is O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is DWTMLGQZJFADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2/c18-10-5-6-12(14(20)7-10)16(24)23-11-8-21-17(22-9-11)25-15-4-2-1-3-13(15)19/h1-9H,(H,23,24).
What are the key properties of 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide?
2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 345.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 71799796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).