potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate

C14H10Cl2KNO2 — CID 23667642

IUPACpotassium 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+]
InChIInChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
InChIKeyKXZOIWWTXOCYKR-UHFFFAOYSA-M
MW334.24 g/mol
LogP0.03
Rot. Bonds4

About potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate

potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 23667642) has the molecular formula C14H10Cl2KNO2 and a molecular weight of 334.24 g/mol. Its IUPAC name is potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Namepotassium 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID23667642
Molecular FormulaC14H10Cl2KNO2
Molecular Weight334.24 g/mol
Exact Mass332.97
IUPAC Namepotassium 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+]
InChIInChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
InChIKeyKXZOIWWTXOCYKR-UHFFFAOYSA-M
XLogP0.03
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diclofenac
CID 3033
Diclofenac sodium
CID 5018304
Aceclofenac
CID 71771
Lumiracoxib
CID 151166
4'-Hydroxydiclofenac
CID 116545
Arthrotec
CID 3032
Diclofenac Epolamine
CID 114753
2-Anilinophenylacetic acid
CID 854057
Diclofenac Diethylamine
CID 115087
Diclofenac methyl ester
CID 519102
2-(2-(2-Chlorophenylamino)phenyl)acetic acid
CID 13752584
2-(2-(2,5-Dichlorophenylamino)phenyl)acetic acid
CID 14076674

Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 23667642) is potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate is O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+].
What is the InChIKey of potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is KXZOIWWTXOCYKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate?
potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 334.24 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 23667642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).