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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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
2-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113357096
cis-methyl (1R,2S)-2-[[2-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylate
CID 97029827
2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
CID 136575931
2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 43594014
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893256
1-(2-fluorophenyl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
CID 99850331
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 43594107
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 120555735

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).