2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide

C20H19F3N2O3 — CID 112500086

IUPAC2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C20H19F3N2O3/c1-12-4-2-3-5-16(12)28-17-7-6-13(20(21,22)23)10-15(17)19(27)25-14-8-9-24-18(26)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyFKERICXLPINAOK-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.81
Rot. Bonds4

About 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide

2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 112500086) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
PubChem CID112500086
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
SMILESCc1ccccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C20H19F3N2O3/c1-12-4-2-3-5-16(12)28-17-7-6-13(20(21,22)23)10-15(17)19(27)25-14-8-9-24-18(26)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyFKERICXLPINAOK-UHFFFAOYSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide (CID 112500086) is 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide is Cc1ccccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1CCNC(=O)C1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is FKERICXLPINAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-12-4-2-3-5-16(12)28-17-7-6-13(20(21,22)23)10-15(17)19(27)25-14-8-9-24-18(26)11-14/h2-7,10,14H,8-9,11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 392.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).