2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 80033856

IUPAC2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
SMILESCNC1=C(C=CC=C1C(F)(F)F)C(=O)NC2CCCOC2
InChIInChI=1S/C14H17F3N2O2/c1-18-12-10(5-2-6-11(12)14(15,16)17)13(20)19-9-4-3-7-21-8-9/h2,5-6,9,18H,3-4,7-8H2,1H3,(H,19,20)
InChIKeyVRVJFVQVTBQUJF-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.00
Rot. Bonds3

About 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide

2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 80033856) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID80033856
Molecular FormulaC14H17F3N2O2
Molecular Weight302.29 g/mol
Exact Mass302.12
IUPAC Name2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
SMILESCNC1=C(C=CC=C1C(F)(F)F)C(=O)NC2CCCOC2
InChIInChI=1S/C14H17F3N2O2/c1-18-12-10(5-2-6-11(12)14(15,16)17)13(20)19-9-4-3-7-21-8-9/h2,5-6,9,18H,3-4,7-8H2,1H3,(H,19,20)
InChIKeyVRVJFVQVTBQUJF-UHFFFAOYSA-N
XLogP3.00
TPSA50.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity363

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide (CID 80033856) is 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide is CNC1=C(C=CC=C1C(F)(F)F)C(=O)NC2CCCOC2.
What is the InChIKey of 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is VRVJFVQVTBQUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-18-12-10(5-2-6-11(12)14(15,16)17)13(20)19-9-4-3-7-21-8-9/h2,5-6,9,18H,3-4,7-8H2,1H3,(H,19,20).
What are the key properties of 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 302.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 80033856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).