ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate

C20H18FNO5 — CID 46424384

IUPACethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2oc3c(F)cccc3c2C)c1
InChIInChI=1S/C20H18FNO5/c1-3-25-17(23)11-26-14-7-4-6-13(10-14)22-20(24)18-12(2)15-8-5-9-16(21)19(15)27-18/h4-10H,3,11H2,1-2H3,(H,22,24)
InChIKeyYQFJRJUTMGZOCQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.07
Rot. Bonds6

About ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate

ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate (PubChem CID 46424384) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate
PubChem CID46424384
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Nameethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2oc3c(F)cccc3c2C)c1
InChIInChI=1S/C20H18FNO5/c1-3-25-17(23)11-26-14-7-4-6-13(10-14)22-20(24)18-12(2)15-8-5-9-16(21)19(15)27-18/h4-10H,3,11H2,1-2H3,(H,22,24)
InChIKeyYQFJRJUTMGZOCQ-UHFFFAOYSA-N
XLogP4.07
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9088549
ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
CID 39269573
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 46811824
ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate
CID 86963712
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate
CID 131735213
methyl 2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenoxy]acetate
CID 79489953
ethyl 2-[3-(but-2-ynoylamino)phenoxy]acetate
CID 107991028
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate (CID 46424384) is ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)c2oc3c(F)cccc3c2C)c1.
What is the InChIKey of ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is YQFJRJUTMGZOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-3-25-17(23)11-26-14-7-4-6-13(10-14)22-20(24)18-12(2)15-8-5-9-16(21)19(15)27-18/h4-10H,3,11H2,1-2H3,(H,22,24).
What are the key properties of ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate?
ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 371.36 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 46424384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).