2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide

C20H18F4N2O4 — CID 112500138

IUPAC2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)NC2CCNC(=O)C2)cc1F
InChIInChI=1S/C20H18F4N2O4/c1-29-16-5-3-13(10-15(16)21)30-17-8-11(20(22,23)24)2-4-14(17)19(28)26-12-6-7-25-18(27)9-12/h2-5,8,10,12H,6-7,9H2,1H3,(H,25,27)(H,26,28)
InChIKeyLLKRZJPTJWUMJI-UHFFFAOYSA-N
MW426.37 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide

2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 112500138) has the molecular formula C20H18F4N2O4 and a molecular weight of 426.37 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID112500138
Molecular FormulaC20H18F4N2O4
Molecular Weight426.37 g/mol
Exact Mass426.12
IUPAC Name2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)NC2CCNC(=O)C2)cc1F
InChIInChI=1S/C20H18F4N2O4/c1-29-16-5-3-13(10-15(16)21)30-17-8-11(20(22,23)24)2-4-14(17)19(28)26-12-6-7-25-18(27)9-12/h2-5,8,10,12H,6-7,9H2,1H3,(H,25,27)(H,26,28)
InChIKeyLLKRZJPTJWUMJI-UHFFFAOYSA-N
XLogP3.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (CID 112500138) is 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is COc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)NC2CCNC(=O)C2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is LLKRZJPTJWUMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O4/c1-29-16-5-3-13(10-15(16)21)30-17-8-11(20(22,23)24)2-4-14(17)19(28)26-12-6-7-25-18(27)9-12/h2-5,8,10,12H,6-7,9H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 426.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).