2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide

C18H15ClN2O2 — CID 113208820

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C)c(NC(=O)C(=O)c2c[nH]c3cc(Cl)ccc23)c1
InChIInChI=1S/C18H15ClN2O2/c1-10-3-4-11(2)15(7-10)21-18(23)17(22)14-9-20-16-8-12(19)5-6-13(14)16/h3-9,20H,1-2H3,(H,21,23)
InChIKeyFVBXBRYDWWEGHR-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.26
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide

2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide (PubChem CID 113208820) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
PubChem CID113208820
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C)c(NC(=O)C(=O)c2c[nH]c3cc(Cl)ccc23)c1
InChIInChI=1S/C18H15ClN2O2/c1-10-3-4-11(2)15(7-10)21-18(23)17(22)14-9-20-16-8-12(19)5-6-13(14)16/h3-9,20H,1-2H3,(H,21,23)
InChIKeyFVBXBRYDWWEGHR-UHFFFAOYSA-N
XLogP4.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.26
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

N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638
ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
CID 113208895
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208859
2-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-2-oxoacetamide
CID 113208672
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
CID 113206476
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113208869
2-(6-cyano-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 54771579
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide (CID 113208820) is 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide is Cc1ccc(C)c(NC(=O)C(=O)c2c[nH]c3cc(Cl)ccc23)c1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide?
The InChIKey is FVBXBRYDWWEGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-10-3-4-11(2)15(7-10)21-18(23)17(22)14-9-20-16-8-12(19)5-6-13(14)16/h3-9,20H,1-2H3,(H,21,23).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide?
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide has a molecular weight of 326.78 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 113208820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).