CID 70415811

C15H8ClFKN2O3 — CID 70415811

IUPAC—
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2)c2cccc(F)c2c1=O.[K]
InChIInChI=1S/C15H8ClFN2O3.K/c16-8-4-6-9(7-5-8)19-11-3-1-2-10(17)12(11)14(20)13(18-19)15(21)22;/h1-7H,(H,21,22);
InChIKeyXEHNPVCDWJINTE-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.50
Rot. Bonds2

About CID 70415811

CID 70415811 (PubChem CID 70415811) has the molecular formula C15H8ClFKN2O3 and a molecular weight of 357.79 g/mol.

Molecular Properties

Compound NameCID 70415811
PubChem CID70415811
Molecular FormulaC15H8ClFKN2O3
Molecular Weight357.79 g/mol
Exact Mass356.98
IUPAC Name—
SMILESO=C(O)c1nn(-c2ccc(Cl)cc2)c2cccc(F)c2c1=O.[K]
InChIInChI=1S/C15H8ClFN2O3.K/c16-8-4-6-9(7-5-8)19-11-3-1-2-10(17)12(11)14(20)13(18-19)15(21)22;/h1-7H,(H,21,22);
InChIKeyXEHNPVCDWJINTE-UHFFFAOYSA-N
XLogP2.50
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 70415811?
The IUPAC name of CID 70415811 (CID 70415811) is not available.
What is the SMILES notation for CID 70415811?
The canonical SMILES for CID 70415811 is O=C(O)c1nn(-c2ccc(Cl)cc2)c2cccc(F)c2c1=O.[K].
What is the InChIKey of CID 70415811?
The InChIKey is XEHNPVCDWJINTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN2O3.K/c16-8-4-6-9(7-5-8)19-11-3-1-2-10(17)12(11)14(20)13(18-19)15(21)22;/h1-7H,(H,21,22);.
What are the key properties of CID 70415811?
CID 70415811 has a molecular weight of 357.79 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70415811 is sourced from PubChem (CID 70415811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).