N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide

C20H16F6N2O3 — CID 112500208

IUPACN-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2c(Oc3ccccc3)cc(C(F)(F)F)cc2C(F)(F)F)CCN1
InChIInChI=1S/C20H16F6N2O3/c21-19(22,23)11-8-14(20(24,25)26)17(15(9-11)31-13-4-2-1-3-5-13)18(30)28-12-6-7-27-16(29)10-12/h1-5,8-9,12H,6-7,10H2,(H,27,29)(H,28,30)
InChIKeySROAOXWIPCIGLI-UHFFFAOYSA-N
MW446.35 g/mol
LogP4.52
Rot. Bonds4

About N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide

N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide (PubChem CID 112500208) has the molecular formula C20H16F6N2O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide
PubChem CID112500208
Molecular FormulaC20H16F6N2O3
Molecular Weight446.35 g/mol
Exact Mass446.11
IUPAC NameN-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide
SMILESO=C1CC(NC(=O)c2c(Oc3ccccc3)cc(C(F)(F)F)cc2C(F)(F)F)CCN1
InChIInChI=1S/C20H16F6N2O3/c21-19(22,23)11-8-14(20(24,25)26)17(15(9-11)31-13-4-2-1-3-5-13)18(30)28-12-6-7-27-16(29)10-12/h1-5,8-9,12H,6-7,10H2,(H,27,29)(H,28,30)
InChIKeySROAOXWIPCIGLI-UHFFFAOYSA-N
XLogP4.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Flecainide
CID 3356
R-(-)-Flecainide
CID 6603850
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
(S)-Flecainide
CID 6604414
N-cyclohexyl-3-methoxynaphthalene-2-carboxamide
CID 2571368
N-(1-benzyl-4-piperidinyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 2738398
N-(1-benzylpiperidin-4-yl)-2-ethoxybenzamide
CID 8181355
N,N-Diethyl-2-methyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)-benzamide
CID 44254062
N,N-Diethyl-3-methyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)-benzamide
CID 44254063
N-(1-cyclopentyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide
CID 46848591
N-[1-(cyclopropylmethyl)-3-phenylpiperidin-3-yl]-2-methoxy-4,6-bis(trifluoromethyl)benzamide
CID 46848592
Rac-2-methoxy-n-(1-methyl-3-phenyl-piperidin-3-yl)-4,6-bis-trifluoromethyl-benzamide
CID 46849923

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide (CID 112500208) is N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide is O=C1CC(NC(=O)c2c(Oc3ccccc3)cc(C(F)(F)F)cc2C(F)(F)F)CCN1.
What is the InChIKey of N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is SROAOXWIPCIGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N2O3/c21-19(22,23)11-8-14(20(24,25)26)17(15(9-11)31-13-4-2-1-3-5-13)18(30)28-12-6-7-27-16(29)10-12/h1-5,8-9,12H,6-7,10H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide?
N-(2-oxopiperidin-4-yl)-2-phenoxy-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 446.35 g/mol, XLogP of 4.52, 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-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 112500208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).