N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide

C17H20F3NO2 — CID 56531109

IUPACN-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CC(C)(C)C)CC(F)(F)F)oc2ccccc12
InChIInChI=1S/C17H20F3NO2/c1-11-12-7-5-6-8-13(12)23-14(11)15(22)21(9-16(2,3)4)10-17(18,19)20/h5-8H,9-10H2,1-4H3
InChIKeyOVKCNYTVKMZTPO-UHFFFAOYSA-N
MW327.35 g/mol
LogP4.79
Rot. Bonds3

About N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide

N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide (PubChem CID 56531109) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
PubChem CID56531109
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC NameN-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CC(C)(C)C)CC(F)(F)F)oc2ccccc12
InChIInChI=1S/C17H20F3NO2/c1-11-12-7-5-6-8-13(12)23-14(11)15(22)21(9-16(2,3)4)10-17(18,19)20/h5-8H,9-10H2,1-4H3
InChIKeyOVKCNYTVKMZTPO-UHFFFAOYSA-N
XLogP4.79
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide (CID 56531109) is N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(CC(C)(C)C)CC(F)(F)F)oc2ccccc12.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
The InChIKey is OVKCNYTVKMZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-11-12-7-5-6-8-13(12)23-14(11)15(22)21(9-16(2,3)4)10-17(18,19)20/h5-8H,9-10H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide?
N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-methyl-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56531109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).