4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide

C13H15F3N2O2 — CID 115293483

IUPAC4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccccc2C(F)(F)F)CCOCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-3-1-2-4-10(9)18-11(19)12(17)5-7-20-8-6-12/h1-4H,5-8,17H2,(H,18,19)
InChIKeyAODDIHCCFRFTFS-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.15
Rot. Bonds2

About 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide

4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 115293483) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID115293483
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESNC1(C(=O)Nc2ccccc2C(F)(F)F)CCOCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)9-3-1-2-4-10(9)18-11(19)12(17)5-7-20-8-6-12/h1-4H,5-8,17H2,(H,18,19)
InChIKeyAODDIHCCFRFTFS-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254
(3S)-3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 66617106
4-amino-N-(2-sulfamoylphenyl)oxane-4-carboxamide
CID 115294474
4-amino-N-(2-cyanophenyl)oxane-4-carboxamide
CID 113280537
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115294569
1-amino-N-(2-tert-butylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119399892
4-[2-(trifluoromethyl)anilino]oxane-4-carboxylic acid
CID 78969335
4-amino-N-(2,3-dichlorophenyl)oxane-4-carboxamide
CID 115293616
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 80590517
4-amino-N-(2,3,4-trifluorophenyl)oxane-4-carboxamide
CID 115293503
1-carbamothioyl-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80592381
4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 113280621

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 115293483) is 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide is NC1(C(=O)Nc2ccccc2C(F)(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is AODDIHCCFRFTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)9-3-1-2-4-10(9)18-11(19)12(17)5-7-20-8-6-12/h1-4H,5-8,17H2,(H,18,19).
What are the key properties of 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide?
4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 115293483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).