4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide

C13H15F3N2O2 — CID 63362160

IUPAC4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NC2CCCOC2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-6-8(3-4-11(10)17)12(19)18-9-2-1-5-20-7-9/h3-4,6,9H,1-2,5,7,17H2,(H,18,19)
InChIKeyOFUBDSJPWDSJQF-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.20
Rot. Bonds2

About 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide

4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 63362160) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID63362160
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)NC2CCCOC2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-6-8(3-4-11(10)17)12(19)18-9-2-1-5-20-7-9/h3-4,6,9H,1-2,5,7,17H2,(H,18,19)
InChIKeyOFUBDSJPWDSJQF-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
CID 62153973
4-N-(oxan-3-yl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63360015
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
CID 114540505
3-bromo-N-(oxolan-3-yl)-4-(trifluoromethyl)benzamide
CID 176508175
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63707294
3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
CID 79773740
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
4-(N'-hydroxycarbamimidoyl)-N-(oxan-3-yl)benzamide
CID 76995462

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide (CID 63362160) is 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide is Nc1ccc(C(=O)NC2CCCOC2)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is OFUBDSJPWDSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-6-8(3-4-11(10)17)12(19)18-9-2-1-5-20-7-9/h3-4,6,9H,1-2,5,7,17H2,(H,18,19).
What are the key properties of 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide?
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 288.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63362160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).