2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide

C19H16BrClN2O2 — CID 129103872

IUPAC2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2cc(Br)ccc12
InChIInChI=1S/C19H16BrClN2O2/c1-22-19(25)18(24)17-14-8-5-12(20)10-16(14)23-15(17)9-4-11-2-6-13(21)7-3-11/h2-3,5-8,10,23H,4,9H2,1H3,(H,22,25)
InChIKeyPBAYARXZPPANAF-UHFFFAOYSA-N
MW419.71 g/mol
LogP4.30
Rot. Bonds5

About 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide

2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide (PubChem CID 129103872) has the molecular formula C19H16BrClN2O2 and a molecular weight of 419.71 g/mol. Its IUPAC name is 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
PubChem CID129103872
Molecular FormulaC19H16BrClN2O2
Molecular Weight419.71 g/mol
Exact Mass418.01
IUPAC Name2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2cc(Br)ccc12
InChIInChI=1S/C19H16BrClN2O2/c1-22-19(25)18(24)17-14-8-5-12(20)10-16(14)23-15(17)9-4-11-2-6-13(21)7-3-11/h2-3,5-8,10,23H,4,9H2,1H3,(H,22,25)
InChIKeyPBAYARXZPPANAF-UHFFFAOYSA-N
XLogP4.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.71
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-(1,4-oxazepan-4-yl)methanone
CID 145305194
1-[6-bromo-2-[2-(3,5-dichlorophenyl)ethyl]-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 118648678
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-3-carboxylic acid
CID 118657858
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
2-[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]-N-[2-(1,2-dihydropyridin-6-yl)ethyl]-2-oxoacetamide
CID 129127241
5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole
CID 162299734
2-[6-bromo-2-[2-(3,5-dimethylphenyl)ethyl]-1H-indol-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 145305150
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
CID 129125171
ethyl 6-chloro-3-[3-(4-chlorophenyl)propanoyl]-1H-indole-2-carboxylate
CID 123995152
methyl 6-bromo-2-[2-(5-chloropyrimidin-2-yl)ethynyl]-1H-indole-3-carboxylate
CID 118648703
3-(6-bromo-2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
CID 84743323
6-bromo-2-(5-chloro-1H-indol-2-yl)-N-(2,2-dimethoxyethyl)-1H-indole-3-carboxamide
CID 129127157

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide?
The IUPAC name of 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide (CID 129103872) is 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide?
The InChIKey is PBAYARXZPPANAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2/c1-22-19(25)18(24)17-14-8-5-12(20)10-16(14)23-15(17)9-4-11-2-6-13(21)7-3-11/h2-3,5-8,10,23H,4,9H2,1H3,(H,22,25).
What are the key properties of 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide?
2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide has a molecular weight of 419.71 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indol-3-yl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 129103872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).