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

C20H18F4N2O3 — CID 112500089

IUPAC2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C20H18F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-4-2-12(20(22,23)24)9-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyGWKKVBJSWGPFJF-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.95
Rot. Bonds4

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

2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 112500089) has the molecular formula C20H18F4N2O3 and a molecular weight of 410.37 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
PubChem CID112500089
Molecular FormulaC20H18F4N2O3
Molecular Weight410.37 g/mol
Exact Mass410.13
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide
SMILESCc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1CCNC(=O)C1
InChIInChI=1S/C20H18F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-4-2-12(20(22,23)24)9-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,25,27)(H,26,28)
InChIKeyGWKKVBJSWGPFJF-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide (CID 112500089) is 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide is Cc1cc(F)ccc1Oc1ccc(C(F)(F)F)cc1C(=O)NC1CCNC(=O)C1.
What is the InChIKey of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is GWKKVBJSWGPFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O3/c1-11-8-13(21)3-5-16(11)29-17-4-2-12(20(22,23)24)9-15(17)19(28)26-14-6-7-25-18(27)10-14/h2-5,8-9,14H,6-7,10H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide?
2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 410.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenoxy)-N-(2-oxopiperidin-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).