N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide

C16H19F3N2O2 — CID 71987268

IUPACN,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
SMILESCc1cccc(C)c1C(=O)N(C)C1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C16H19F3N2O2/c1-10-5-4-6-11(2)13(10)15(23)20(3)12-7-8-21(14(12)22)9-16(17,18)19/h4-6,12H,7-9H2,1-3H3
InChIKeyOLPRCADFEHPWDP-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.54
Rot. Bonds3

About N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide

N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide (PubChem CID 71987268) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
PubChem CID71987268
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide
SMILESCc1cccc(C)c1C(=O)N(C)C1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C16H19F3N2O2/c1-10-5-4-6-11(2)13(10)15(23)20(3)12-7-8-21(14(12)22)9-16(17,18)19/h4-6,12H,7-9H2,1-3H3
InChIKeyOLPRCADFEHPWDP-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide (CID 71987268) is N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide is Cc1cccc(C)c1C(=O)N(C)C1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
The InChIKey is OLPRCADFEHPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-10-5-4-6-11(2)13(10)15(23)20(3)12-7-8-21(14(12)22)9-16(17,18)19/h4-6,12H,7-9H2,1-3H3.
What are the key properties of N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide?
N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide has a molecular weight of 328.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71987268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).