(3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one

C16H9Cl2NO2 — CID 54585688

IUPAC(3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H9Cl2NO2/c17-10-4-1-3-9(7-10)14(20)8-11-15-12(18)5-2-6-13(15)19-16(11)21/h1-8H,(H,19,21)/b11-8+
InChIKeyKCLKBEHIPYSRFL-DHZHZOJOSA-N
MW318.16 g/mol
LogP4.21
Rot. Bonds2

About (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one

(3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one (PubChem CID 54585688) has the molecular formula C16H9Cl2NO2 and a molecular weight of 318.16 g/mol. Its IUPAC name is (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one
PubChem CID54585688
Molecular FormulaC16H9Cl2NO2
Molecular Weight318.16 g/mol
Exact Mass317.00
IUPAC Name(3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESO=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H9Cl2NO2/c17-10-4-1-3-9(7-10)14(20)8-11-15-12(18)5-2-6-13(15)19-16(11)21/h1-8H,(H,19,21)/b11-8+
InChIKeyKCLKBEHIPYSRFL-DHZHZOJOSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Chlorooxindole
CID 152801
6-Chloro-1,3-dihydroindol-2-one
CID 736344
5-chloro-1H-indole-2,3-dione
CID 87203
4-Chloroisatin
CID 96047
N-(3-Chlorophenyl)benzamide
CID 95833
4,5-Dichloro-1H-indole-2,3-dione
CID 5139980
7-Chloroisatin
CID 344135
4,6-Dichloroisatin
CID 251908
6-Chloroindoline-2,3-dione
CID 241331
N-(2-Benzoyl-4-chlorophenyl)-2-chlorobenzamide
CID 2807150
N-(3-Chlorophenyl)-phthalimide
CID 504333
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674

Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one?
The IUPAC name of (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one (CID 54585688) is (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one is O=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1cccc(Cl)c1.
What is the InChIKey of (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one?
The InChIKey is KCLKBEHIPYSRFL-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H9Cl2NO2/c17-10-4-1-3-9(7-10)14(20)8-11-15-12(18)5-2-6-13(15)19-16(11)21/h1-8H,(H,19,21)/b11-8+.
What are the key properties of (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one?
(3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one has a molecular weight of 318.16 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-3-[2-(3-chlorophenyl)-2-oxoethylidene]-1H-indol-2-one is sourced from PubChem (CID 54585688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).