6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C17H15F3N2O2 — CID 22521391

IUPAC6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCc1ccc2c(c1)N(C(=O)Nc1ccccc1C(F)(F)F)CCO2
InChIInChI=1S/C17H15F3N2O2/c1-11-6-7-15-14(10-11)22(8-9-24-15)16(23)21-13-5-3-2-4-12(13)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyWXHJETYWJYHRGK-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.44
Rot. Bonds1

About 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide

6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521391) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521391
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCc1ccc2c(c1)N(C(=O)Nc1ccccc1C(F)(F)F)CCO2
InChIInChI=1S/C17H15F3N2O2/c1-11-6-7-15-14(10-11)22(8-9-24-15)16(23)21-13-5-3-2-4-12(13)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyWXHJETYWJYHRGK-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521391) is 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is Cc1ccc2c(c1)N(C(=O)Nc1ccccc1C(F)(F)F)CCO2.
What is the InChIKey of 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is WXHJETYWJYHRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11-6-7-15-14(10-11)22(8-9-24-15)16(23)21-13-5-3-2-4-12(13)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23).
What are the key properties of 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).