2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid

C18H15BrClNO4 — CID 5132474

IUPAC2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
SMILESCOc1cc(Br)c(-c2[nH]c3c(Cl)cccc3c2CC(=O)O)cc1OC
InChIInChI=1S/C18H15BrClNO4/c1-24-14-6-11(12(19)8-15(14)25-2)17-10(7-16(22)23)9-4-3-5-13(20)18(9)21-17/h3-6,8,21H,7H2,1-2H3,(H,22,23)
InChIKeyFHAMAHADYRGNBK-UHFFFAOYSA-N
MW424.68 g/mol
LogP4.90
Rot. Bonds5

About 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid

2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid (PubChem CID 5132474) has the molecular formula C18H15BrClNO4 and a molecular weight of 424.68 g/mol. Its IUPAC name is 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
PubChem CID5132474
Molecular FormulaC18H15BrClNO4
Molecular Weight424.68 g/mol
Exact Mass422.99
IUPAC Name2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid
SMILESCOc1cc(Br)c(-c2[nH]c3c(Cl)cccc3c2CC(=O)O)cc1OC
InChIInChI=1S/C18H15BrClNO4/c1-24-14-6-11(12(19)8-15(14)25-2)17-10(7-16(22)23)9-4-3-5-13(20)18(9)21-17/h3-6,8,21H,7H2,1-2H3,(H,22,23)
InChIKeyFHAMAHADYRGNBK-UHFFFAOYSA-N
XLogP4.90
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
2-[7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3977556
2-[2-(2,5-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4021038
2-[2-(3,4-dimethoxyphenyl)-7-fluoro-1H-indol-3-yl]acetic acid
CID 4620548
2-(7-chloro-2-thiophen-2-yl-1H-indol-3-yl)acetic acid
CID 43381492
2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid
CID 5027845
2-[5-chloro-2-(2,3-dimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3275365
2-[6-chloro-7-methyl-2-(2,3,4-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3521189
2-[2-(2,5-dimethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 4262212
2-[5,7-dimethyl-2-(2,4,5-trimethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3350180
2-[2-(5-chloro-2-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3378877
2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 43542803

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid (CID 5132474) is 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid is COc1cc(Br)c(-c2[nH]c3c(Cl)cccc3c2CC(=O)O)cc1OC.
What is the InChIKey of 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid?
The InChIKey is FHAMAHADYRGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClNO4/c1-24-14-6-11(12(19)8-15(14)25-2)17-10(7-16(22)23)9-4-3-5-13(20)18(9)21-17/h3-6,8,21H,7H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid?
2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid has a molecular weight of 424.68 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-chloro-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5132474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).