N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C18H17F3N2O3 — CID 155464594

IUPACN-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC1Oc2ccc(C)cc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H17F3N2O3/c1-3-12-15(11-8-9(2)4-6-13(11)26-12)23-17(25)10-5-7-14(18(19,20)21)22-16(10)24/h4-8,12,15H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUMUJGNFBFALVDE-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.34
Rot. Bonds3

About N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464594) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464594
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCCC1Oc2ccc(C)cc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H17F3N2O3/c1-3-12-15(11-8-9(2)4-6-13(11)26-12)23-17(25)10-5-7-14(18(19,20)21)22-16(10)24/h4-8,12,15H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyUMUJGNFBFALVDE-UHFFFAOYSA-N
XLogP3.34
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464594) is N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CCC1Oc2ccc(C)cc2C1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is UMUJGNFBFALVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-3-12-15(11-8-9(2)4-6-13(11)26-12)23-17(25)10-5-7-14(18(19,20)21)22-16(10)24/h4-8,12,15H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).