sodium 2-(2,6-dichloroanilino)acetate

C8H6Cl2NNaO2 — CID 23676612

IUPACsodium 2-(2,6-dichloroanilino)acetate
SMILESO=C([O-])CNc1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C8H7Cl2NO2.Na/c9-5-2-1-3-6(10)8(5)11-4-7(12)13;/h1-3,11H,4H2,(H,12,13);/q;+1/p-1
InChIKeyYGIPWJUNZQSQDG-UHFFFAOYSA-M
MW242.04 g/mol
LogP-1.84
Rot. Bonds3

About sodium 2-(2,6-dichloroanilino)acetate

sodium 2-(2,6-dichloroanilino)acetate (PubChem CID 23676612) has the molecular formula C8H6Cl2NNaO2 and a molecular weight of 242.04 g/mol. Its IUPAC name is sodium 2-(2,6-dichloroanilino)acetate.

Molecular Properties

Compound Namesodium 2-(2,6-dichloroanilino)acetate
PubChem CID23676612
Molecular FormulaC8H6Cl2NNaO2
Molecular Weight242.04 g/mol
Exact Mass240.97
IUPAC Namesodium 2-(2,6-dichloroanilino)acetate
SMILESO=C([O-])CNc1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C8H7Cl2NO2.Na/c9-5-2-1-3-6(10)8(5)11-4-7(12)13;/h1-3,11H,4H2,(H,12,13);/q;+1/p-1
InChIKeyYGIPWJUNZQSQDG-UHFFFAOYSA-M
XLogP-1.84
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.04
LogP ≤ 5-1.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-(2,6-dichloroanilino)acetamide
CID 65469010
2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
CID 65469961
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
2-[2-[(2,6-dichloroanilino)methyl]phenyl]acetic acid
CID 115462106
2-(2,6-dichloroanilino)-N-methyl-N-phenylacetamide
CID 109007260
2-(2,6-dichloroanilino)-N-(4-fluorophenyl)acetamide
CID 65469582
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602
2-(2,6-dichloroanilino)acetaldehyde
CID 155192832
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 113423474

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2,6-dichloroanilino)acetate?
The IUPAC name of sodium 2-(2,6-dichloroanilino)acetate (CID 23676612) is sodium 2-(2,6-dichloroanilino)acetate.
What is the SMILES notation for sodium 2-(2,6-dichloroanilino)acetate?
The canonical SMILES for sodium 2-(2,6-dichloroanilino)acetate is O=C([O-])CNc1c(Cl)cccc1Cl.[Na+].
What is the InChIKey of sodium 2-(2,6-dichloroanilino)acetate?
The InChIKey is YGIPWJUNZQSQDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7Cl2NO2.Na/c9-5-2-1-3-6(10)8(5)11-4-7(12)13;/h1-3,11H,4H2,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-(2,6-dichloroanilino)acetate?
sodium 2-(2,6-dichloroanilino)acetate has a molecular weight of 242.04 g/mol, XLogP of -1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,6-dichloroanilino)acetate is sourced from PubChem (CID 23676612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).