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

C19H20FN3O3 — CID 25218486

IUPAC2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C19H20FN3O3/c20-16-6-5-13(11-15(16)19(25)23-9-7-22-8-10-23)12-26-17-4-2-1-3-14(17)18(21)24/h1-6,11,22H,7-10,12H2,(H2,21,24)
InChIKeyLQJGGVQDEYJUQW-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.55
Rot. Bonds5

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

2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide (PubChem CID 25218486) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
PubChem CID25218486
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C19H20FN3O3/c20-16-6-5-13(11-15(16)19(25)23-9-7-22-8-10-23)12-26-17-4-2-1-3-14(17)18(21)24/h1-6,11,22H,7-10,12H2,(H2,21,24)
InChIKeyLQJGGVQDEYJUQW-UHFFFAOYSA-N
XLogP1.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The IUPAC name of 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide (CID 25218486) is 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide is NC(=O)c1ccccc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1.
What is the InChIKey of 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The InChIKey is LQJGGVQDEYJUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-16-6-5-13(11-15(16)19(25)23-9-7-22-8-10-23)12-26-17-4-2-1-3-14(17)18(21)24/h1-6,11,22H,7-10,12H2,(H2,21,24).
What are the key properties of 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide has a molecular weight of 357.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 25218486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).