4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

C20H19F3N2O3 — CID 33372865

IUPAC4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)13-28-17-6-2-1-5-16(17)24-19(27)14-8-10-15(11-9-14)25-12-4-3-7-18(25)26/h1-2,5-6,8-11H,3-4,7,12-13H2,(H,24,27)
InChIKeyBRDMJPDOKMICOI-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.40
Rot. Bonds5

About 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide

4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (PubChem CID 33372865) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
PubChem CID33372865
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC(F)(F)F)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)13-28-17-6-2-1-5-16(17)24-19(27)14-8-10-15(11-9-14)25-12-4-3-7-18(25)26/h1-2,5-6,8-11H,3-4,7,12-13H2,(H,24,27)
InChIKeyBRDMJPDOKMICOI-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 93174619
N-[2-(4-methylphenoxy)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24681364
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
5-methoxy-N-(2-methoxyphenyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 155513899
4-(2-oxopiperidin-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55614012
N-(4-methyl-2-propoxyphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 55901466
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584
N'-[2-(2-methylphenoxy)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9470070
N-[4-(2-chlorophenoxy)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18288988
N-[2-[3-(methylamino)-3-oxopropyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131922083
N-[2-(difluoromethoxy)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27827122
N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
CID 120604511

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The IUPAC name of 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide (CID 33372865) is 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The canonical SMILES for 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
The InChIKey is BRDMJPDOKMICOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)13-28-17-6-2-1-5-16(17)24-19(27)14-8-10-15(11-9-14)25-12-4-3-7-18(25)26/h1-2,5-6,8-11H,3-4,7,12-13H2,(H,24,27).
What are the key properties of 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide?
4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide has a molecular weight of 392.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide is sourced from PubChem (CID 33372865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).