[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

C19H22FNO4 — CID 43026715

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N(C)C2CCCCC2)oc2c(F)cccc12
InChIInChI=1S/C19H22FNO4/c1-12-14-9-6-10-15(20)18(14)25-17(12)19(23)24-11-16(22)21(2)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11H2,1-2H3
InChIKeyOKWORIUZQCGWND-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.83
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 43026715) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
PubChem CID43026715
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
SMILESCc1c(C(=O)OCC(=O)N(C)C2CCCCC2)oc2c(F)cccc12
InChIInChI=1S/C19H22FNO4/c1-12-14-9-6-10-15(20)18(14)25-17(12)19(23)24-11-16(22)21(2)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11H2,1-2H3
InChIKeyOKWORIUZQCGWND-UHFFFAOYSA-N
XLogP3.83
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 43026715) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)N(C)C2CCCCC2)oc2c(F)cccc12.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is OKWORIUZQCGWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-12-14-9-6-10-15(20)18(14)25-17(12)19(23)24-11-16(22)21(2)13-7-4-3-5-8-13/h6,9-10,13H,3-5,7-8,11H2,1-2H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 347.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 43026715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).