(2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide

C18H11Cl2N3O2 — CID 5291228

IUPAC(2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide
SMILESN#C/C(C(N)=O)=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C18H11Cl2N3O2/c19-13-5-3-6-14(20)12(13)9-23-15-7-2-1-4-10(15)16(18(23)25)11(8-21)17(22)24/h1-7H,9H2,(H2,22,24)/b16-11+
InChIKeyLSFPFBCZSOALGS-LFIBNONCSA-N
MW372.21 g/mol
LogP3.30
Rot. Bonds3

About (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide

(2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide (PubChem CID 5291228) has the molecular formula C18H11Cl2N3O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide
PubChem CID5291228
Molecular FormulaC18H11Cl2N3O2
Molecular Weight372.21 g/mol
Exact Mass371.02
IUPAC Name(2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide
SMILESN#C/C(C(N)=O)=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C18H11Cl2N3O2/c19-13-5-3-6-14(20)12(13)9-23-15-7-2-1-4-10(15)16(18(23)25)11(8-21)17(22)24/h1-7H,9H2,(H2,22,24)/b16-11+
InChIKeyLSFPFBCZSOALGS-LFIBNONCSA-N
XLogP3.30
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide?
The IUPAC name of (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide (CID 5291228) is (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide.
What is the SMILES notation for (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide?
The canonical SMILES for (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide is N#C/C(C(N)=O)=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide?
The InChIKey is LSFPFBCZSOALGS-LFIBNONCSA-N. The full InChI is InChI=1S/C18H11Cl2N3O2/c19-13-5-3-6-14(20)12(13)9-23-15-7-2-1-4-10(15)16(18(23)25)11(8-21)17(22)24/h1-7H,9H2,(H2,22,24)/b16-11+.
What are the key properties of (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide?
(2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide has a molecular weight of 372.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-[1-[(2,6-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]acetamide is sourced from PubChem (CID 5291228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).