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

C19H17F3N2O3 — CID 112500090

IUPACN-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2)CCN1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)12-6-7-16(27-14-4-2-1-3-5-14)15(10-12)18(26)24-13-8-9-23-17(25)11-13/h1-7,10,13H,8-9,11H2,(H,23,25)(H,24,26)
InChIKeyHIANUKNTVJKHHG-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.51
Rot. Bonds4

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

N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide (PubChem CID 112500090) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide
PubChem CID112500090
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2)CCN1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)12-6-7-16(27-14-4-2-1-3-5-14)15(10-12)18(26)24-13-8-9-23-17(25)11-13/h1-7,10,13H,8-9,11H2,(H,23,25)(H,24,26)
InChIKeyHIANUKNTVJKHHG-UHFFFAOYSA-N
XLogP3.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide (CID 112500090) is N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide is O=C1CC(NC(=O)c2cc(C(F)(F)F)ccc2Oc2ccccc2)CCN1.
What is the InChIKey of N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide?
The InChIKey is HIANUKNTVJKHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)12-6-7-16(27-14-4-2-1-3-5-14)15(10-12)18(26)24-13-8-9-23-17(25)11-13/h1-7,10,13H,8-9,11H2,(H,23,25)(H,24,26).
What are the key properties of N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide?
N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide has a molecular weight of 378.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-4-yl)-2-phenoxy-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 112500090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).