2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide

C16H11BrCl2N2O — CID 4571080

IUPAC2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11BrCl2N2O/c17-11-1-4-15-10(7-11)5-6-21(15)9-16(22)20-14-8-12(18)2-3-13(14)19/h1-8H,9H2,(H,20,22)
InChIKeyFKRKTBBJQXSACU-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.35
Rot. Bonds3

About 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide

2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide (PubChem CID 4571080) has the molecular formula C16H11BrCl2N2O and a molecular weight of 398.09 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
PubChem CID4571080
Molecular FormulaC16H11BrCl2N2O
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11BrCl2N2O/c17-11-1-4-15-10(7-11)5-6-21(15)9-16(22)20-14-8-12(18)2-3-13(14)19/h1-8H,9H2,(H,20,22)
InChIKeyFKRKTBBJQXSACU-UHFFFAOYSA-N
XLogP5.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4070259
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4048909
N-(2,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688644
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
2-(6-chloro-4-oxoquinolin-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 100735074

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide (CID 4571080) is 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide is O=C(Cn1ccc2cc(Br)ccc21)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is FKRKTBBJQXSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrCl2N2O/c17-11-1-4-15-10(7-11)5-6-21(15)9-16(22)20-14-8-12(18)2-3-13(14)19/h1-8H,9H2,(H,20,22).
What are the key properties of 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide?
2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 398.09 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 4571080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).