N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide

C17H8Cl2N2O2 — CID 135508665

IUPACN-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
SMILESN#C/C(=N\c1cccc(Cl)c1Cl)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H8Cl2N2O2/c18-11-6-3-7-12(15(11)19)21-13(8-20)14-16(22)9-4-1-2-5-10(9)17(14)23/h1-7,22H/b21-13+
InChIKeyQFLQYDBPFXGDPZ-FYJGNVAPSA-N
MW343.17 g/mol
LogP4.76
Rot. Bonds2

About N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide

N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135508665) has the molecular formula C17H8Cl2N2O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135508665
Molecular FormulaC17H8Cl2N2O2
Molecular Weight343.17 g/mol
Exact Mass342.00
IUPAC NameN-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
SMILESN#C/C(=N\c1cccc(Cl)c1Cl)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H8Cl2N2O2/c18-11-6-3-7-12(15(11)19)21-13(8-20)14-16(22)9-4-1-2-5-10(9)17(14)23/h1-7,22H/b21-13+
InChIKeyQFLQYDBPFXGDPZ-FYJGNVAPSA-N
XLogP4.76
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide (CID 135508665) is N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide is N#C/C(=N\c1cccc(Cl)c1Cl)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is QFLQYDBPFXGDPZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C17H8Cl2N2O2/c18-11-6-3-7-12(15(11)19)21-13(8-20)14-16(22)9-4-1-2-5-10(9)17(14)23/h1-7,22H/b21-13+.
What are the key properties of N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 343.17 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135508665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).