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

C19H19F2N3O3 — CID 25218497

IUPAC4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1ccc(F)cc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C19H19F2N3O3/c20-13-2-3-14(18(22)25)17(10-13)27-11-12-1-4-16(21)15(9-12)19(26)24-7-5-23-6-8-24/h1-4,9-10,23H,5-8,11H2,(H2,22,25)
InChIKeyQDZJTTSVJSHBKF-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.69
Rot. Bonds5

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

4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide (PubChem CID 25218497) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
PubChem CID25218497
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1ccc(F)cc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1
InChIInChI=1S/C19H19F2N3O3/c20-13-2-3-14(18(22)25)17(10-13)27-11-12-1-4-16(21)15(9-12)19(26)24-7-5-23-6-8-24/h1-4,9-10,23H,5-8,11H2,(H2,22,25)
InChIKeyQDZJTTSVJSHBKF-UHFFFAOYSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The IUPAC name of 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide (CID 25218497) is 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The canonical SMILES for 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide is NC(=O)c1ccc(F)cc1OCc1ccc(F)c(C(=O)N2CCNCC2)c1.
What is the InChIKey of 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
The InChIKey is QDZJTTSVJSHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c20-13-2-3-14(18(22)25)17(10-13)27-11-12-1-4-16(21)15(9-12)19(26)24-7-5-23-6-8-24/h1-4,9-10,23H,5-8,11H2,(H2,22,25).
What are the key properties of 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide?
4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide has a molecular weight of 375.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 25218497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).