sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate

C15H12Cl2NNaO2 — CID 23689082

IUPACsodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
SMILESCc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)[O-])c1.[Na+]
InChIInChI=1S/C15H13Cl2NO2.Na/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17;/h2-7,18H,8H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyUWCKEAXOYPUQCE-UHFFFAOYSA-M
MW332.16 g/mol
LogP0.34
Rot. Bonds4

About sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate

sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate (PubChem CID 23689082) has the molecular formula C15H12Cl2NNaO2 and a molecular weight of 332.16 g/mol. Its IUPAC name is sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate.

Molecular Properties

Compound Namesodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
PubChem CID23689082
Molecular FormulaC15H12Cl2NNaO2
Molecular Weight332.16 g/mol
Exact Mass331.01
IUPAC Namesodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
SMILESCc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)[O-])c1.[Na+]
InChIInChI=1S/C15H13Cl2NO2.Na/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17;/h2-7,18H,8H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyUWCKEAXOYPUQCE-UHFFFAOYSA-M
XLogP0.34
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetate;tris(hydroxymethyl)-methylazanium
CID 15917937
sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate
CID 23689693
sodium 2-[3-(2,6-dichloroanilino)thiophen-2-yl]acetate
CID 23686411
2-[2-(2-bromo-6-chloroanilino)phenyl]acetate
CID 71777020
[3-(nitrooxymethyl)phenyl] 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetate
CID 58863363
potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate
CID 163956747
sodium;2-[2-(2,6-dichloroanilino)phenyl]acetate;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 68521742
2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
CID 57434772
2-(2,6-dichloroanilino)-5-methylbenzenecarbothioamide
CID 107929067
2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline
CID 56618086
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
4-(2,6-dichloroanilino)-3-methylbenzoic acid
CID 65498818

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate?
The IUPAC name of sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate (CID 23689082) is sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate.
What is the SMILES notation for sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate?
The canonical SMILES for sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate is Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)[O-])c1.[Na+].
What is the InChIKey of sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate?
The InChIKey is UWCKEAXOYPUQCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13Cl2NO2.Na/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17;/h2-7,18H,8H2,1H3,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate?
sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate has a molecular weight of 332.16 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate is sourced from PubChem (CID 23689082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).