2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide

C20H17F3N2O3 — CID 151637535

IUPAC2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OCC1(c2cc3ccccc3[nH]2)COC1
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)13-5-6-16(14(8-13)18(24)26)28-11-19(9-27-10-19)17-7-12-3-1-2-4-15(12)25-17/h1-8,25H,9-11H2,(H2,24,26)
InChIKeyQRVBUNHJYGKDEJ-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.63
Rot. Bonds5

About 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide

2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide (PubChem CID 151637535) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide
PubChem CID151637535
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OCC1(c2cc3ccccc3[nH]2)COC1
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)13-5-6-16(14(8-13)18(24)26)28-11-19(9-27-10-19)17-7-12-3-1-2-4-15(12)25-17/h1-8,25H,9-11H2,(H2,24,26)
InChIKeyQRVBUNHJYGKDEJ-UHFFFAOYSA-N
XLogP3.63
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide (CID 151637535) is 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1OCC1(c2cc3ccccc3[nH]2)COC1.
What is the InChIKey of 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The InChIKey is QRVBUNHJYGKDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c21-20(22,23)13-5-6-16(14(8-13)18(24)26)28-11-19(9-27-10-19)17-7-12-3-1-2-4-15(12)25-17/h1-8,25H,9-11H2,(H2,24,26).
What are the key properties of 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide has a molecular weight of 390.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-indol-2-yl)oxetan-3-yl]methoxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 151637535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).