2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide

C16H11ClN2O3 — CID 73346162

IUPAC2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide
SMILESO=C(CN1C(=O)C(=O)c2cccc(Cl)c21)Nc1ccccc1
InChIInChI=1S/C16H11ClN2O3/c17-12-8-4-7-11-14(12)19(16(22)15(11)21)9-13(20)18-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)
InChIKeyJSYXLFCBYDNEBR-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.51
Rot. Bonds3

About 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide

2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide (PubChem CID 73346162) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide
PubChem CID73346162
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide
SMILESO=C(CN1C(=O)C(=O)c2cccc(Cl)c21)Nc1ccccc1
InChIInChI=1S/C16H11ClN2O3/c17-12-8-4-7-11-14(12)19(16(22)15(11)21)9-13(20)18-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20)
InChIKeyJSYXLFCBYDNEBR-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-chloro-2,3-dioxoindol-1-yl)-N-(2-cyanoethyl)acetamide
CID 61355990
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61355997
4-(7-chloro-2,3-dioxoindol-1-yl)butanoic acid
CID 61355822
4-[[2-(2,3-dioxoindol-1-yl)acetyl]amino]benzoic acid
CID 3644129
7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79174168
7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072173
N-(3-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4295908
7-chloro-1-(2-phenylsulfanylethyl)indole-2,3-dione
CID 79227870
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
4-(1,3-dioxoisoindol-2-yl)-3-oxo-N-phenylbutanamide
CID 154148523
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide (CID 73346162) is 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide is O=C(CN1C(=O)C(=O)c2cccc(Cl)c21)Nc1ccccc1.
What is the InChIKey of 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide?
The InChIKey is JSYXLFCBYDNEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-12-8-4-7-11-14(12)19(16(22)15(11)21)9-13(20)18-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,20).
What are the key properties of 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide?
2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide has a molecular weight of 314.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 73346162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).