2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide

C19H15F5N2O3 — CID 112500065

IUPAC2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2F)CCN1
InChIInChI=1S/C19H15F5N2O3/c20-11-2-4-15(14(21)8-11)29-16-7-10(19(22,23)24)1-3-13(16)18(28)26-12-5-6-25-17(27)9-12/h1-4,7-8,12H,5-6,9H2,(H,25,27)(H,26,28)
InChIKeyGTYUHOHVCYJPMY-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.78
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide

2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 112500065) has the molecular formula C19H15F5N2O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID112500065
Molecular FormulaC19H15F5N2O3
Molecular Weight414.33 g/mol
Exact Mass414.10
IUPAC Name2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2F)CCN1
InChIInChI=1S/C19H15F5N2O3/c20-11-2-4-15(14(21)8-11)29-16-7-10(19(22,23)24)1-3-13(16)18(28)26-12-5-6-25-17(27)9-12/h1-4,7-8,12H,5-6,9H2,(H,25,27)(H,26,28)
InChIKeyGTYUHOHVCYJPMY-UHFFFAOYSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide (CID 112500065) is 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is O=C1CC(NC(=O)c2ccc(C(F)(F)F)cc2Oc2ccc(F)cc2F)CCN1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is GTYUHOHVCYJPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N2O3/c20-11-2-4-15(14(21)8-11)29-16-7-10(19(22,23)24)1-3-13(16)18(28)26-12-5-6-25-17(27)9-12/h1-4,7-8,12H,5-6,9H2,(H,25,27)(H,26,28).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide?
2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 414.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).