6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide

C11H11F3N2O3 — CID 54892968

IUPAC6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)COc2cc(O)ccc21
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)4-16-10(9(15)18)5-19-8-3-6(17)1-2-7(8)10/h1-3,16-17H,4-5H2,(H2,15,18)
InChIKeyMQXFZSZKJSEFJQ-UHFFFAOYSA-N
MW276.21 g/mol
LogP0.62
Rot. Bonds3

About 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide

6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide (PubChem CID 54892968) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide
PubChem CID54892968
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide
SMILESNC(=O)C1(NCC(F)(F)F)COc2cc(O)ccc21
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)4-16-10(9(15)18)5-19-8-3-6(17)1-2-7(8)10/h1-3,16-17H,4-5H2,(H2,15,18)
InChIKeyMQXFZSZKJSEFJQ-UHFFFAOYSA-N
XLogP0.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-amino-6-methylheptanoyl)amino]-N-[[4-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]phenyl]methyl]oxolane-3-carboxamide
CID 70846510
3-(2,2,2-Trifluoroethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 24709373
6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carbonitrile
CID 54892915
6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxylic acid
CID 54892986
3-(2-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
CID 60995641
3-(3-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
CID 60997038
2-(2,4-Dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 60997735
2-(2,4-Dimethoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998059
ethyl 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxylate
CID 60998108
methyl 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxylate
CID 60998717
3-(4-fluoroanilino)-6-hydroxy-2H-1-benzofuran-3-carboxamide
CID 61005065
3-(hydroxymethyl)-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-6-ol
CID 61044736

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide?
The IUPAC name of 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide (CID 54892968) is 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide is NC(=O)C1(NCC(F)(F)F)COc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide?
The InChIKey is MQXFZSZKJSEFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)4-16-10(9(15)18)5-19-8-3-6(17)1-2-7(8)10/h1-3,16-17H,4-5H2,(H2,15,18).
What are the key properties of 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide?
6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide has a molecular weight of 276.21 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2,2,2-trifluoroethylamino)-2H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 54892968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).