potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline

C12H8Cl2KNO — CID 142203384

IUPACpotassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline
SMILES[K+].[O-]N(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H8Cl2NO.K/c13-9-3-1-5-11(7-9)15(16)12-6-2-4-10(14)8-12;/h1-8H;/q-1;+1
InChIKeySDEJVNRASUDFKZ-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.63
Rot. Bonds2

About potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline

potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline (PubChem CID 142203384) has the molecular formula C12H8Cl2KNO and a molecular weight of 292.21 g/mol. Its IUPAC name is potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline.

Molecular Properties

Compound Namepotassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline
PubChem CID142203384
Molecular FormulaC12H8Cl2KNO
Molecular Weight292.21 g/mol
Exact Mass290.96
IUPAC Namepotassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline
SMILES[K+].[O-]N(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C12H8Cl2NO.K/c13-9-3-1-5-11(7-9)15(16)12-6-2-4-10(14)8-12;/h1-8H;/q-1;+1
InChIKeySDEJVNRASUDFKZ-UHFFFAOYSA-N
XLogP1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-1-fluorohydrazine
CID 53401109
1-chloro-3-[methyl(sulfinato)amino]benzene
CID 18920379
azane;1,3-dichlorobenzene
CID 67301049
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
3-chloro-N,N-bis(prop-2-ynyl)aniline
CID 5001996
1,1-bis(3-chlorophenyl)thiourea
CID 18515542
magnesium;3-chloro-N,N-bis(trimethylsilyl)aniline;hydride
CID 173060658
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
1-amino-1-(3-chlorophenyl)thiourea
CID 13162100
2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 134305211
sodium;1,3-dichlorobenzene;hydride
CID 175271520
magnesium;1,3-dichlorobenzene;hydride
CID 173052292

Frequently Asked Questions

What is the IUPAC name of potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline?
The IUPAC name of potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline (CID 142203384) is potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline.
What is the SMILES notation for potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline?
The canonical SMILES for potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline is [K+].[O-]N(c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline?
The InChIKey is SDEJVNRASUDFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2NO.K/c13-9-3-1-5-11(7-9)15(16)12-6-2-4-10(14)8-12;/h1-8H;/q-1;+1.
What are the key properties of potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline?
potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline has a molecular weight of 292.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-chloro-N-(3-chlorophenyl)-N-oxidoaniline is sourced from PubChem (CID 142203384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).