2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide

C16H10Cl2N2O2 — CID 113208837

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H10Cl2N2O2/c17-9-2-1-3-11(6-9)20-16(22)15(21)13-8-19-14-7-10(18)4-5-12(13)14/h1-8,19H,(H,20,22)
InChIKeyOWPAKVKDVMJHCL-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.30
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide

2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide (PubChem CID 113208837) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
PubChem CID113208837
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide
SMILESO=C(Nc1cccc(Cl)c1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H10Cl2N2O2/c17-9-2-1-3-11(6-9)20-16(22)15(21)13-8-19-14-7-10(18)4-5-12(13)14/h1-8,19H,(H,20,22)
InChIKeyOWPAKVKDVMJHCL-UHFFFAOYSA-N
XLogP4.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
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

2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 54771139
N-(3-acetylphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208859
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113208869
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 113208820
ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
CID 113208895
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
CID 170645729
CID 170645729
6-chloro-1H-indole-3-carboxamide
CID 130666489
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208767

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide (CID 113208837) is 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide is O=C(Nc1cccc(Cl)c1)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide?
The InChIKey is OWPAKVKDVMJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-9-2-1-3-11(6-9)20-16(22)15(21)13-8-19-14-7-10(18)4-5-12(13)14/h1-8,19H,(H,20,22).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide?
2-(6-chloro-1H-indol-3-yl)-N-(3-chlorophenyl)-2-oxoacetamide has a molecular weight of 333.17 g/mol, XLogP of 4.30, 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-(3-chlorophenyl)-2-oxoacetamide is sourced from PubChem (CID 113208837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).