2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide

C21H20BrN3O2 — CID 56763638

IUPAC2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
SMILESCOCCn1ccc2c(NC(=O)Cn3ccc4c(Br)cccc43)cccc21
InChIInChI=1S/C21H20BrN3O2/c1-27-13-12-24-10-9-16-18(5-3-7-20(16)24)23-21(26)14-25-11-8-15-17(22)4-2-6-19(15)25/h2-11H,12-14H2,1H3,(H,23,26)
InChIKeyPVYWVZUZFUIVJW-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.64
Rot. Bonds6

About 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide

2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide (PubChem CID 56763638) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
PubChem CID56763638
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC Name2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
SMILESCOCCn1ccc2c(NC(=O)Cn3ccc4c(Br)cccc43)cccc21
InChIInChI=1S/C21H20BrN3O2/c1-27-13-12-24-10-9-16-18(5-3-7-20(16)24)23-21(26)14-25-11-8-15-17(22)4-2-6-19(15)25/h2-11H,12-14H2,1H3,(H,23,26)
InChIKeyPVYWVZUZFUIVJW-UHFFFAOYSA-N
XLogP4.64
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide
CID 56763620
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
CID 116626047
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 75490000
methyl 4-(4-bromoindol-1-yl)butanoate
CID 115351462
N-[1-(2-methoxyethyl)indol-4-yl]-1-methylindole-6-carboxamide
CID 56763718
2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 71828241
2-[4-(methanesulfonamido)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 86206980
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71753500
2-(4-acetamidoindol-1-yl)-N-(3-acetylphenyl)acetamide
CID 71828766
methyl (2S)-2-[[2-(4-acetamidoindol-1-yl)acetyl]amino]-3-methylbutanoate
CID 91638079
(2S)-N-[1-(2-methoxyethyl)indol-4-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 71826165

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide?
The IUPAC name of 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide (CID 56763638) is 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide.
What is the SMILES notation for 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide?
The canonical SMILES for 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide is COCCn1ccc2c(NC(=O)Cn3ccc4c(Br)cccc43)cccc21.
What is the InChIKey of 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide?
The InChIKey is PVYWVZUZFUIVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-27-13-12-24-10-9-16-18(5-3-7-20(16)24)23-21(26)14-25-11-8-15-17(22)4-2-6-19(15)25/h2-11H,12-14H2,1H3,(H,23,26).
What are the key properties of 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide?
2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide has a molecular weight of 426.31 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide is sourced from PubChem (CID 56763638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).