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

C13H15F3N2O2 — CID 62905996

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESNc1ccc(NC(=O)C2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-7-9(17)1-2-11(10)18-12(19)8-3-5-20-6-4-8/h1-2,7-8H,3-6,17H2,(H,18,19)
InChIKeyPBJHXTKLXNZGQM-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.65
Rot. Bonds2

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

N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 62905996) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID62905996
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESNc1ccc(NC(=O)C2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-7-9(17)1-2-11(10)18-12(19)8-3-5-20-6-4-8/h1-2,7-8H,3-6,17H2,(H,18,19)
InChIKeyPBJHXTKLXNZGQM-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709
N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide
CID 83146901
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
CID 61272362
N-(2-amino-4-cyanophenyl)oxane-4-carboxamide
CID 78965406
N-[4-chloro-2-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]phenyl]oxane-4-carboxamide
CID 139512712
tert-butyl N-[2-(oxane-4-carbonylamino)-4-(trifluoromethyl)phenyl]carbamate
CID 87046246
4-amino-N-[4-[[4-amino-2-(trifluoromethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzamide
CID 135301185
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 150605694
N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide
CID 103097804
N-[2-carbamothioyl-4-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 115911377
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 62905996) is N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide is Nc1ccc(NC(=O)C2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is PBJHXTKLXNZGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-7-9(17)1-2-11(10)18-12(19)8-3-5-20-6-4-8/h1-2,7-8H,3-6,17H2,(H,18,19).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide?
N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 62905996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).