[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C20H18ClNO5 — CID 2538727

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)Nc3cc(Cl)ccc3C)coc2c1
InChIInChI=1S/C20H18ClNO5/c1-12-3-4-14(21)8-17(12)22-19(23)11-27-20(24)7-13-10-26-18-9-15(25-2)5-6-16(13)18/h3-6,8-10H,7,11H2,1-2H3,(H,22,23)
InChIKeyCIJRNNXYBPBGLP-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.13
Rot. Bonds6

About [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2538727) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2538727
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)Nc3cc(Cl)ccc3C)coc2c1
InChIInChI=1S/C20H18ClNO5/c1-12-3-4-14(21)8-17(12)22-19(23)11-27-20(24)7-13-10-26-18-9-15(25-2)5-6-16(13)18/h3-6,8-10H,7,11H2,1-2H3,(H,22,23)
InChIKeyCIJRNNXYBPBGLP-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4210410
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525108
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4857170
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705565
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902197
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2126246
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
methyl 3-[[2-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 8525388

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2538727) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)Nc3cc(Cl)ccc3C)coc2c1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is CIJRNNXYBPBGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-12-3-4-14(21)8-17(12)22-19(23)11-27-20(24)7-13-10-26-18-9-15(25-2)5-6-16(13)18/h3-6,8-10H,7,11H2,1-2H3,(H,22,23).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 387.82 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2538727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).