2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide

C19H16F4N2O3 — CID 112500062

IUPAC2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide
SMILESO=C1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)CN1
InChIInChI=1S/C19H16F4N2O3/c20-12-2-5-14(6-3-12)28-16-7-1-11(19(21,22)23)9-15(16)18(27)25-13-4-8-17(26)24-10-13/h1-3,5-7,9,13H,4,8,10H2,(H,24,26)(H,25,27)
InChIKeyRHNALGPQIZPKTR-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide

2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide (PubChem CID 112500062) has the molecular formula C19H16F4N2O3 and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide
PubChem CID112500062
Molecular FormulaC19H16F4N2O3
Molecular Weight396.34 g/mol
Exact Mass396.11
IUPAC Name2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide
SMILESO=C1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)CN1
InChIInChI=1S/C19H16F4N2O3/c20-12-2-5-14(6-3-12)28-16-7-1-11(19(21,22)23)9-15(16)18(27)25-13-4-8-17(26)24-10-13/h1-3,5-7,9,13H,4,8,10H2,(H,24,26)(H,25,27)
InChIKeyRHNALGPQIZPKTR-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide (CID 112500062) is 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide is O=C1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)CN1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is RHNALGPQIZPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3/c20-12-2-5-14(6-3-12)28-16-7-1-11(19(21,22)23)9-15(16)18(27)25-13-4-8-17(26)24-10-13/h1-3,5-7,9,13H,4,8,10H2,(H,24,26)(H,25,27).
What are the key properties of 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide?
2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 396.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(6-oxopiperidin-3-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).