N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide

C13H11F3N2O3 — CID 71969635

IUPACN-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide
SMILESO=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccoc1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)10-1-2-11(18-7-10)21-6-4-17-12(19)9-3-5-20-8-9/h1-3,5,7-8H,4,6H2,(H,17,19)
InChIKeySESMNNHLTVODPK-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.50
Rot. Bonds5

About N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide

N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide (PubChem CID 71969635) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide
PubChem CID71969635
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC NameN-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide
SMILESO=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccoc1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)10-1-2-11(18-7-10)21-6-4-17-12(19)9-3-5-20-8-9/h1-3,5,7-8H,4,6H2,(H,17,19)
InChIKeySESMNNHLTVODPK-UHFFFAOYSA-N
XLogP2.50
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
CID 129392878
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-2-carboxamide
CID 71918358
N-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
CID 24532323
2,4-dimethyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-1,3-oxazole-5-carboxamide
CID 71851017
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
3-cyano-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]thiophene-2-carboxamide
CID 71969634
2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
N-[2-(furan-2-yl)ethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24544168
1,2-dimethyl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]guanidine;hydroiodide
CID 86779149
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
CID 46450491

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide (CID 71969635) is N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide is O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccoc1.
What is the InChIKey of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide?
The InChIKey is SESMNNHLTVODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c14-13(15,16)10-1-2-11(18-7-10)21-6-4-17-12(19)9-3-5-20-8-9/h1-3,5,7-8H,4,6H2,(H,17,19).
What are the key properties of N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide?
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]furan-3-carboxamide is sourced from PubChem (CID 71969635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).