N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide

C20H20F3NO2 — CID 90554748

IUPACN-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)14-24(18-10-12-26-13-11-18)19(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyAAWZHUUCYLIIJU-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.54
Rot. Bonds4

About N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide

N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 90554748) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID90554748
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)14-24(18-10-12-26-13-11-18)19(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyAAWZHUUCYLIIJU-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554727
4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554705
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
N-(oxan-4-yl)-3-phenyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 90554656
N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 90554644
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71796138
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 71796118
N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 97051794
5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796132
5-(furan-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796090
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90554677

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide (CID 90554748) is N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide is O=C(c1ccc(-c2ccccc2)cc1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is AAWZHUUCYLIIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)14-24(18-10-12-26-13-11-18)19(25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18H,10-14H2.
What are the key properties of N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide?
N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 363.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 90554748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).