N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C20H14BrN3O2 — CID 5352103

IUPACN-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(N/C=C/c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14BrN3O2/c21-13-5-6-14-12(10-23-18(14)9-13)7-8-22-20(26)19(25)16-11-24-17-4-2-1-3-15(16)17/h1-11,23-24H,(H,22,26)/b8-7+
InChIKeyCNFDLPADVYGTJH-BQYQJAHWSA-N
MW408.26 g/mol
LogP4.38
Rot. Bonds4

About N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 5352103) has the molecular formula C20H14BrN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID5352103
Molecular FormulaC20H14BrN3O2
Molecular Weight408.26 g/mol
Exact Mass407.03
IUPAC NameN-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(N/C=C/c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H14BrN3O2/c21-13-5-6-14-12(10-23-18(14)9-13)7-8-22-20(26)19(25)16-11-24-17-4-2-1-3-15(16)17/h1-11,23-24H,(H,22,26)/b8-7+
InChIKeyCNFDLPADVYGTJH-BQYQJAHWSA-N
XLogP4.38
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 5352103) is N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(N/C=C/c1c[nH]c2cc(Br)ccc12)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is CNFDLPADVYGTJH-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H14BrN3O2/c21-13-5-6-14-12(10-23-18(14)9-13)7-8-22-20(26)19(25)16-11-24-17-4-2-1-3-15(16)17/h1-11,23-24H,(H,22,26)/b8-7+.
What are the key properties of N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 408.26 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 5352103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).