[2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate

C20H18ClNO5 — CID 8900910

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C20H18ClNO5/c1-3-25-16-10-5-4-9-15(16)22-17(23)11-26-20(24)18-12(2)13-7-6-8-14(21)19(13)27-18/h4-10H,3,11H2,1-2H3,(H,22,23)
InChIKeyWTCDQQZKLBSDNG-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.59
Rot. Bonds6

About [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate

[2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8900910) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID8900910
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C20H18ClNO5/c1-3-25-16-10-5-4-9-15(16)22-17(23)11-26-20(24)18-12(2)13-7-6-8-14(21)19(13)27-18/h4-10H,3,11H2,1-2H3,(H,22,23)
InChIKeyWTCDQQZKLBSDNG-UHFFFAOYSA-N
XLogP4.59
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
2-(2,3-dichlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 7372395
[2-(2-ethoxyanilino)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253818
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472435
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506341
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653255
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149321
[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860693
[2-(2-ethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682126

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate (CID 8900910) is [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate is CCOc1ccccc1NC(=O)COC(=O)c1oc2c(Cl)cccc2c1C.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is WTCDQQZKLBSDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-3-25-16-10-5-4-9-15(16)22-17(23)11-26-20(24)18-12(2)13-7-6-8-14(21)19(13)27-18/h4-10H,3,11H2,1-2H3,(H,22,23).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 387.82 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8900910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).