2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide

C17H12Br2N2O2 — CID 4253502

IUPAC2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccc(Br)cc2)c2ccc(Br)cc12
InChIInChI=1S/C17H12Br2N2O2/c18-12-1-4-14(5-2-12)20-17(23)9-21-8-11(10-22)15-7-13(19)3-6-16(15)21/h1-8,10H,9H2,(H,20,23)
InChIKeyXLJKFUIGEAWSKS-UHFFFAOYSA-N
MW436.10 g/mol
LogP4.62
Rot. Bonds4

About 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide

2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 4253502) has the molecular formula C17H12Br2N2O2 and a molecular weight of 436.10 g/mol. Its IUPAC name is 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID4253502
Molecular FormulaC17H12Br2N2O2
Molecular Weight436.10 g/mol
Exact Mass433.93
IUPAC Name2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide
SMILESO=Cc1cn(CC(=O)Nc2ccc(Br)cc2)c2ccc(Br)cc12
InChIInChI=1S/C17H12Br2N2O2/c18-12-1-4-14(5-2-12)20-17(23)9-21-8-11(10-22)15-7-13(19)3-6-16(15)21/h1-8,10H,9H2,(H,20,23)
InChIKeyXLJKFUIGEAWSKS-UHFFFAOYSA-N
XLogP4.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.10
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-3-formylindol-1-yl)-N-(4-nitrophenyl)acetamide
CID 5059556
N-(2-benzoylphenyl)-2-(5-bromo-3-formylindol-1-yl)acetamide
CID 4625573
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
2-(5-bromo-3-formylindol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3626804
2-(5-bromo-3-formylindol-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 3664036
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
CID 4171162
2-(3-benzoylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 2953380
N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-[4-[[2-(6-bromo-4-oxoquinolin-1-yl)acetyl]amino]phenyl]acetamide
CID 100779672
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858697

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide (CID 4253502) is 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide is O=Cc1cn(CC(=O)Nc2ccc(Br)cc2)c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is XLJKFUIGEAWSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O2/c18-12-1-4-14(5-2-12)20-17(23)9-21-8-11(10-22)15-7-13(19)3-6-16(15)21/h1-8,10H,9H2,(H,20,23).
What are the key properties of 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide?
2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 436.10 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-formylindol-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 4253502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).