ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate

C15H15BrFNO4 — CID 66927067

IUPACethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate
SMILESCCOC(=O)Cc1cn(C(C)=O)c2c(F)cc(Br)c(OC)c12
InChIInChI=1S/C15H15BrFNO4/c1-4-22-12(20)5-9-7-18(8(2)19)14-11(17)6-10(16)15(21-3)13(9)14/h6-7H,4-5H2,1-3H3
InChIKeyMOSZTJCRJRQYQT-UHFFFAOYSA-N
MW372.19 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate

ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate (PubChem CID 66927067) has the molecular formula C15H15BrFNO4 and a molecular weight of 372.19 g/mol. Its IUPAC name is ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate
PubChem CID66927067
Molecular FormulaC15H15BrFNO4
Molecular Weight372.19 g/mol
Exact Mass371.02
IUPAC Nameethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate
SMILESCCOC(=O)Cc1cn(C(C)=O)c2c(F)cc(Br)c(OC)c12
InChIInChI=1S/C15H15BrFNO4/c1-4-22-12(20)5-9-7-18(8(2)19)14-11(17)6-10(16)15(21-3)13(9)14/h6-7H,4-5H2,1-3H3
InChIKeyMOSZTJCRJRQYQT-UHFFFAOYSA-N
XLogP3.32
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.19
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromo-2-methoxy-5-methylphenyl)acetate
CID 13360648
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(4-bromo-2-fluoro-5-formylphenyl)acetate
CID 171010181
ethyl 2-(3-bromo-5-fluoro-4-methoxyphenyl)-2-oxoacetate
CID 117490190
ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
CID 171008666
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988
ethyl 2-(4-acetyl-2-bromophenyl)acetate
CID 121231889
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)acetate
CID 171008386
ethyl 2-(4-fluoro-5-methoxy-2-methylphenyl)acetate
CID 171008387

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate?
The IUPAC name of ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate (CID 66927067) is ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate is CCOC(=O)Cc1cn(C(C)=O)c2c(F)cc(Br)c(OC)c12.
What is the InChIKey of ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate?
The InChIKey is MOSZTJCRJRQYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO4/c1-4-22-12(20)5-9-7-18(8(2)19)14-11(17)6-10(16)15(21-3)13(9)14/h6-7H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate?
ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate has a molecular weight of 372.19 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-acetyl-5-bromo-7-fluoro-4-methoxyindol-3-yl)acetate is sourced from PubChem (CID 66927067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).