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

C14H10Cl2NNaO2 — CID 5018304

IUPACsodium 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C14H11Cl2NO2.Na/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
InChIKeyKPHWPUGNDIVLNH-UHFFFAOYSA-M
MW318.14 g/mol
LogP0.03
Rot. Bonds4

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

sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 5018304) has the molecular formula C14H10Cl2NNaO2 and a molecular weight of 318.14 g/mol. Its IUPAC name is sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Namesodium 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID5018304
Molecular FormulaC14H10Cl2NNaO2
Molecular Weight318.14 g/mol
Exact Mass317.00
IUPAC Namesodium 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C14H11Cl2NO2.Na/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
InChIKeyKPHWPUGNDIVLNH-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 ≤ 500318.14
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diclofenac
CID 3033
Aceclofenac
CID 71771
Lumiracoxib
CID 151166
4'-Hydroxydiclofenac
CID 116545
Diclofenac Potassium
CID 23667642
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 sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 5018304) is sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate is O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+].
What is the InChIKey of sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is KPHWPUGNDIVLNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11Cl2NO2.Na/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 sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate?
sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 318.14 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 sodium 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 5018304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).