ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate

C20H19FN2O4 — CID 86963712

IUPACethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2cc3c(C)cc(F)cc3[nH]2)c1
InChIInChI=1S/C20H19FN2O4/c1-3-26-19(24)11-27-15-6-4-5-14(9-15)22-20(25)18-10-16-12(2)7-13(21)8-17(16)23-18/h4-10,23H,3,11H2,1-2H3,(H,22,25)
InChIKeyKMWYZYJFTAWBAZ-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.81
Rot. Bonds6

About ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate

ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate (PubChem CID 86963712) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate
PubChem CID86963712
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Nameethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)c2cc3c(C)cc(F)cc3[nH]2)c1
InChIInChI=1S/C20H19FN2O4/c1-3-26-19(24)11-27-15-6-4-5-14(9-15)22-20(25)18-10-16-12(2)7-13(21)8-17(16)23-18/h4-10,23H,3,11H2,1-2H3,(H,22,25)
InChIKeyKMWYZYJFTAWBAZ-UHFFFAOYSA-N
XLogP3.81
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenoxy]acetate
CID 39269573
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate
CID 131735213
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
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CID 39269639

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate (CID 86963712) is ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)c2cc3c(C)cc(F)cc3[nH]2)c1.
What is the InChIKey of ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate?
The InChIKey is KMWYZYJFTAWBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-3-26-19(24)11-27-15-6-4-5-14(9-15)22-20(25)18-10-16-12(2)7-13(21)8-17(16)23-18/h4-10,23H,3,11H2,1-2H3,(H,22,25).
What are the key properties of ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate?
ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate has a molecular weight of 370.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]phenoxy]acetate is sourced from PubChem (CID 86963712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).