N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide

C17H8F2N2O2 — CID 135493697

IUPACN-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(F)cc1F)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H8F2N2O2/c18-9-5-6-13(12(19)7-9)21-14(8-20)15-16(22)10-3-1-2-4-11(10)17(15)23/h1-7,22H/b21-14+
InChIKeyWSTCWYLXCGNZDW-KGENOOAVSA-N
MW310.26 g/mol
LogP3.73
Rot. Bonds2

About N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide

N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135493697) has the molecular formula C17H8F2N2O2 and a molecular weight of 310.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135493697
Molecular FormulaC17H8F2N2O2
Molecular Weight310.26 g/mol
Exact Mass310.06
IUPAC NameN-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
SMILESN#C/C(=N\c1ccc(F)cc1F)C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H8F2N2O2/c18-9-5-6-13(12(19)7-9)21-14(8-20)15-16(22)10-3-1-2-4-11(10)17(15)23/h1-7,22H/b21-14+
InChIKeyWSTCWYLXCGNZDW-KGENOOAVSA-N
XLogP3.73
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 53.73
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-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide (CID 135493697) is N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide is N#C/C(=N\c1ccc(F)cc1F)C1=C(O)c2ccccc2C1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is WSTCWYLXCGNZDW-KGENOOAVSA-N. The full InChI is InChI=1S/C17H8F2N2O2/c18-9-5-6-13(12(19)7-9)21-14(8-20)15-16(22)10-3-1-2-4-11(10)17(15)23/h1-7,22H/b21-14+.
What are the key properties of N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide?
N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 310.26 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135493697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).