2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide

C16H11ClN2O2 — CID 54771139

IUPAC2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H11ClN2O2/c17-10-6-7-12-13(9-18-14(12)8-10)15(20)16(21)19-11-4-2-1-3-5-11/h1-9,18H,(H,19,21)
InChIKeyCTCGYBNNTCNHNN-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.64
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide

2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide (PubChem CID 54771139) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
PubChem CID54771139
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H11ClN2O2/c17-10-6-7-12-13(9-18-14(12)8-10)15(20)16(21)19-11-4-2-1-3-5-11/h1-9,18H,(H,19,21)
InChIKeyCTCGYBNNTCNHNN-UHFFFAOYSA-N
XLogP3.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.64
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)-N-(3-chlorophenyl)-2-oxoacetamide
CID 113208837
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)-2-oxo-N-(3-phenylpropyl)acetamide
CID 113208798
2-(5-fluoro-1H-indol-3-yl)-2-oxo-N-phenylacetamide
CID 113208101
ethyl 2-[[2-(6-chloro-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
CID 113208895
2-(6-chloro-1H-indol-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide
CID 113208820
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
2-[5-(iodomethyl)-1H-indol-3-yl]-2-oxo-N-phenylacetamide
CID 89369412
N-(4-chloro-2,5-dimethoxyphenyl)-2-(6-chloro-1H-indol-3-yl)-2-oxoacetamide
CID 113208892
2-(5-chloro-1H-indol-3-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 113208305

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide (CID 54771139) is 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide is O=C(Nc1ccccc1)C(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide?
The InChIKey is CTCGYBNNTCNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-10-6-7-12-13(9-18-14(12)8-10)15(20)16(21)19-11-4-2-1-3-5-11/h1-9,18H,(H,19,21).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide?
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-phenylacetamide has a molecular weight of 298.73 g/mol, XLogP of 3.64, 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)-2-oxo-N-phenylacetamide is sourced from PubChem (CID 54771139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).