N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide

C22H22F2N2O4 — CID 24981274

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)N(CC)CC(=O)Nc3c(F)cccc3F)c(C)c2c1
InChIInChI=1S/C22H22F2N2O4/c1-4-26(12-19(27)25-20-16(23)7-6-8-17(20)24)22(28)21-13(3)15-11-14(29-5-2)9-10-18(15)30-21/h6-11H,4-5,12H2,1-3H3,(H,25,27)
InChIKeyJAESJXJHFOVZGH-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.52
Rot. Bonds7

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24981274) has the molecular formula C22H22F2N2O4 and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24981274
Molecular FormulaC22H22F2N2O4
Molecular Weight416.42 g/mol
Exact Mass416.15
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)N(CC)CC(=O)Nc3c(F)cccc3F)c(C)c2c1
InChIInChI=1S/C22H22F2N2O4/c1-4-26(12-19(27)25-20-16(23)7-6-8-17(20)24)22(28)21-13(3)15-11-14(29-5-2)9-10-18(15)30-21/h6-11H,4-5,12H2,1-3H3,(H,25,27)
InChIKeyJAESJXJHFOVZGH-UHFFFAOYSA-N
XLogP4.52
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide (CID 24981274) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)N(CC)CC(=O)Nc3c(F)cccc3F)c(C)c2c1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JAESJXJHFOVZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O4/c1-4-26(12-19(27)25-20-16(23)7-6-8-17(20)24)22(28)21-13(3)15-11-14(29-5-2)9-10-18(15)30-21/h6-11H,4-5,12H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 416.42 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-5-ethoxy-N-ethyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24981274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).