2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide

C19H13Cl2N3O2 — CID 23969128

IUPAC2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide
SMILESCCN1C(=O)C(=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C19H13Cl2N3O2/c1-2-24-16-6-4-3-5-12(16)17(19(24)26)13(10-22)18(25)23-15-9-11(20)7-8-14(15)21/h3-9H,2H2,1H3,(H,23,25)
InChIKeyBNSPALSIZSCLMZ-UHFFFAOYSA-N
MW386.24 g/mol
LogP4.28
Rot. Bonds3

About 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide

2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide (PubChem CID 23969128) has the molecular formula C19H13Cl2N3O2 and a molecular weight of 386.24 g/mol. Its IUPAC name is 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide
PubChem CID23969128
Molecular FormulaC19H13Cl2N3O2
Molecular Weight386.24 g/mol
Exact Mass385.04
IUPAC Name2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide
SMILESCCN1C(=O)C(=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C19H13Cl2N3O2/c1-2-24-16-6-4-3-5-12(16)17(19(24)26)13(10-22)18(25)23-15-9-11(20)7-8-14(15)21/h3-9H,2H2,1H3,(H,23,25)
InChIKeyBNSPALSIZSCLMZ-UHFFFAOYSA-N
XLogP4.28
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethyl-2-oxoindol-3-ylidene)-4,4-dimethyl-3-oxopentanenitrile
CID 3916382
(2E)-2-cyano-2-(2-oxo-1-pentylindol-3-ylidene)-N-phenylacetamide
CID 2414305
2-cyano-2-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]-N-(2-methylphenyl)acetamide
CID 23791361
(2E)-2-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-2-cyano-N-cyclohexylacetamide
CID 124603237
(2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide
CID 5291228
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 108825604
(2Z)-2-cyano-N-(2,5-dichlorophenyl)-2-[5-[(2,5-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 6231107
2-[5-[(3-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide
CID 3776605
N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide
CID 108825527
(2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2,5-dichlorophenyl)acetamide
CID 6222550
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(2-methylanilino)prop-2-enamide
CID 108825385

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide?
The IUPAC name of 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide (CID 23969128) is 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide.
What is the SMILES notation for 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide?
The canonical SMILES for 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide is CCN1C(=O)C(=C(C#N)C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc21.
What is the InChIKey of 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide?
The InChIKey is BNSPALSIZSCLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O2/c1-2-24-16-6-4-3-5-12(16)17(19(24)26)13(10-22)18(25)23-15-9-11(20)7-8-14(15)21/h3-9H,2H2,1H3,(H,23,25).
What are the key properties of 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide?
2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide has a molecular weight of 386.24 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,5-dichlorophenyl)-2-(1-ethyl-2-oxoindol-3-ylidene)acetamide is sourced from PubChem (CID 23969128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).