2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone

C19H17BrClNO2 — CID 7233537

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone
SMILESCCc1cccc2c(C(=O)COc3c(C)cc(Br)cc3Cl)c[nH]c12
InChIInChI=1S/C19H17BrClNO2/c1-3-12-5-4-6-14-15(9-22-18(12)14)17(23)10-24-19-11(2)7-13(20)8-16(19)21/h4-9,22H,3,10H2,1-2H3
InChIKeyLSFWCOXTUPGGFD-UHFFFAOYSA-N
MW406.71 g/mol
LogP5.72
Rot. Bonds5

About 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone

2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone (PubChem CID 7233537) has the molecular formula C19H17BrClNO2 and a molecular weight of 406.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone
PubChem CID7233537
Molecular FormulaC19H17BrClNO2
Molecular Weight406.71 g/mol
Exact Mass405.01
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone
SMILESCCc1cccc2c(C(=O)COc3c(C)cc(Br)cc3Cl)c[nH]c12
InChIInChI=1S/C19H17BrClNO2/c1-3-12-5-4-6-14-15(9-22-18(12)14)17(23)10-24-19-11(2)7-13(20)8-16(19)21/h4-9,22H,3,10H2,1-2H3
InChIKeyLSFWCOXTUPGGFD-UHFFFAOYSA-N
XLogP5.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.71
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloro-6-methylphenoxy)-1-(2-methylphenyl)ethanone
CID 63567782
(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107979602
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 18280151
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767738
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7873308
1-(7-ethyl-1H-indol-3-yl)-2-(3-nitrophenoxy)ethanone
CID 7865159
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856439
4-[4-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethoxy]phenyl]benzonitrile
CID 7670497
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7873987
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 7718455
(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107987127

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone (CID 7233537) is 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone is CCc1cccc2c(C(=O)COc3c(C)cc(Br)cc3Cl)c[nH]c12.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone?
The InChIKey is LSFWCOXTUPGGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClNO2/c1-3-12-5-4-6-14-15(9-22-18(12)14)17(23)10-24-19-11(2)7-13(20)8-16(19)21/h4-9,22H,3,10H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone?
2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone has a molecular weight of 406.71 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 7233537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).