4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide

C19H18F3N3O3 — CID 25218496

IUPAC4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1cc(F)c(F)cc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C19H18F3N3O3/c20-14-2-1-11(7-12(14)19(27)25-5-3-24-4-6-25)10-28-17-9-16(22)15(21)8-13(17)18(23)26/h1-2,7-9,24H,3-6,10H2,(H2,23,26)
InChIKeyHUFRTUVZAZAWOZ-UHFFFAOYSA-N
MW393.37 g/mol
LogP1.83
Rot. Bonds5

About 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide

4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide (PubChem CID 25218496) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
PubChem CID25218496
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1cc(F)c(F)cc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C19H18F3N3O3/c20-14-2-1-11(7-12(14)19(27)25-5-3-24-4-6-25)10-28-17-9-16(22)15(21)8-13(17)18(23)26/h1-2,7-9,24H,3-6,10H2,(H2,23,26)
InChIKeyHUFRTUVZAZAWOZ-UHFFFAOYSA-N
XLogP1.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The IUPAC name of 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide (CID 25218496) is 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The canonical SMILES for 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide is NC(=O)c1cc(F)c(F)cc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1.
What is the InChIKey of 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The InChIKey is HUFRTUVZAZAWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-14-2-1-11(7-12(14)19(27)25-5-3-24-4-6-25)10-28-17-9-16(22)15(21)8-13(17)18(23)26/h1-2,7-9,24H,3-6,10H2,(H2,23,26).
What are the key properties of 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide has a molecular weight of 393.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 25218496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).