N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide

C13H15F3N2O2 — CID 74883319

IUPACN-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
SMILESCOC1CNCC1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-20-11-7-17-6-10(11)18-12(19)8-4-2-3-5-9(8)13(14,15)16/h2-5,10-11,17H,6-7H2,1H3,(H,18,19)
InChIKeyAUGHTEKCNYRFDI-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.42
Rot. Bonds3

About N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide

N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide (PubChem CID 74883319) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
PubChem CID74883319
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
SMILESCOC1CNCC1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-20-11-7-17-6-10(11)18-12(19)8-4-2-3-5-9(8)13(14,15)16/h2-5,10-11,17H,6-7H2,1H3,(H,18,19)
InChIKeyAUGHTEKCNYRFDI-UHFFFAOYSA-N
XLogP1.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide (CID 74883319) is N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide is COC1CNCC1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is AUGHTEKCNYRFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-20-11-7-17-6-10(11)18-12(19)8-4-2-3-5-9(8)13(14,15)16/h2-5,10-11,17H,6-7H2,1H3,(H,18,19).
What are the key properties of N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide?
N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 288.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 74883319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).