2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver

C14H10AgCl2NO2- — CID 171593274

IUPAC2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver
SMILESO=[Ag].O=[C-]Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2NO.Ag.O/c15-11-5-3-6-12(16)14(11)17-13-7-2-1-4-10(13)8-9-18;;/h1-7,17H,8H2;;/q-1;;
InChIKeySRBSHIVURYRENF-UHFFFAOYSA-N
MW403.01 g/mol
LogP4.27
Rot. Bonds4

About 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver

2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver (PubChem CID 171593274) has the molecular formula C14H10AgCl2NO2- and a molecular weight of 403.01 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver
PubChem CID171593274
Molecular FormulaC14H10AgCl2NO2-
Molecular Weight403.01 g/mol
Exact Mass400.91
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver
SMILESO=[Ag].O=[C-]Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H10Cl2NO.Ag.O/c15-11-5-3-6-12(16)14(11)17-13-7-2-1-4-10(13)8-9-18;;/h1-7,17H,8H2;;/q-1;;
InChIKeySRBSHIVURYRENF-UHFFFAOYSA-N
XLogP4.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.01
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver (CID 171593274) is 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver is O=[Ag].O=[C-]Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver?
The InChIKey is SRBSHIVURYRENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2NO.Ag.O/c15-11-5-3-6-12(16)14(11)17-13-7-2-1-4-10(13)8-9-18;;/h1-7,17H,8H2;;/q-1;;.
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver?
2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver has a molecular weight of 403.01 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver is sourced from PubChem (CID 171593274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).