N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide

C16H16F3NO3 — CID 71796118

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C16H16F3NO3/c17-16(18,19)10-20(12-5-7-22-8-6-12)15(21)14-9-11-3-1-2-4-13(11)23-14/h1-4,9,12H,5-8,10H2
InChIKeyIHCTWSHCFYPDCZ-UHFFFAOYSA-N
MW327.30 g/mol
LogP3.62
Rot. Bonds3

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide (PubChem CID 71796118) has the molecular formula C16H16F3NO3 and a molecular weight of 327.30 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
PubChem CID71796118
Molecular FormulaC16H16F3NO3
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C16H16F3NO3/c17-16(18,19)10-20(12-5-7-22-8-6-12)15(21)14-9-11-3-1-2-4-13(11)23-14/h1-4,9,12H,5-8,10H2
InChIKeyIHCTWSHCFYPDCZ-UHFFFAOYSA-N
XLogP3.62
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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NS6740
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CID 977385
2-Benzofuranyl-4-morpholinylmethanone
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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide (CID 71796118) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide is O=C(c1cc2ccccc2o1)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IHCTWSHCFYPDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO3/c17-16(18,19)10-20(12-5-7-22-8-6-12)15(21)14-9-11-3-1-2-4-13(11)23-14/h1-4,9,12H,5-8,10H2.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide has a molecular weight of 327.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71796118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).