N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide

C17H15F3N2O2 — CID 110412476

IUPACN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
SMILESCN1CCOc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C17H15F3N2O2/c1-22-8-9-24-15-7-6-13(10-14(15)22)21-16(23)11-2-4-12(5-3-11)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyJRLMPQYDANBTMO-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.79
Rot. Bonds2

About N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide

N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide (PubChem CID 110412476) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
PubChem CID110412476
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
SMILESCN1CCOc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C17H15F3N2O2/c1-22-8-9-24-15-7-6-13(10-14(15)22)21-16(23)11-2-4-12(5-3-11)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyJRLMPQYDANBTMO-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
4-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412576
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-4-(trifluoromethyl)benzamide
CID 18571570
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 110639536
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
3,4-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412589
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 110744724
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
4-fluoro-N-[4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]benzamide
CID 141486309

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide (CID 110412476) is N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide is CN1CCOc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is JRLMPQYDANBTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-22-8-9-24-15-7-6-13(10-14(15)22)21-16(23)11-2-4-12(5-3-11)17(18,19)20/h2-7,10H,8-9H2,1H3,(H,21,23).
What are the key properties of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide?
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 336.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110412476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).