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

C20H22FN3O3 — CID 25218490

IUPAC2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C20H22FN3O3/c21-17-6-5-14(13-16(17)20(26)24-10-8-23-9-11-24)7-12-27-18-4-2-1-3-15(18)19(22)25/h1-6,13,23H,7-12H2,(H2,22,25)
InChIKeyLDHQVBVDFHHHIU-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.59
Rot. Bonds6

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

2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide (PubChem CID 25218490) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide
PubChem CID25218490
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C20H22FN3O3/c21-17-6-5-14(13-16(17)20(26)24-10-8-23-9-11-24)7-12-27-18-4-2-1-3-15(18)19(22)25/h1-6,13,23H,7-12H2,(H2,22,25)
InChIKeyLDHQVBVDFHHHIU-UHFFFAOYSA-N
XLogP1.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The IUPAC name of 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide (CID 25218490) is 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide.
What is the SMILES notation for 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The canonical SMILES for 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide is NC(=O)c1ccccc1OCCc1ccc(F)c(C(=O)N2CCNCC2)c1.
What is the InChIKey of 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide?
The InChIKey is LDHQVBVDFHHHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-17-6-5-14(13-16(17)20(26)24-10-8-23-9-11-24)7-12-27-18-4-2-1-3-15(18)19(22)25/h1-6,13,23H,7-12H2,(H2,22,25).
What are the key properties of 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide?
2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide has a molecular weight of 371.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-fluoro-3-(piperazine-1-carbonyl)phenyl]ethoxy]benzamide is sourced from PubChem (CID 25218490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).