sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate

C14H8Cl2F2NNaO2 — CID 23689693

IUPACsodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate
SMILESO=C([O-])Cc1cc(F)ccc1Nc1c(Cl)cc(F)cc1Cl.[Na+]
InChIInChI=1S/C14H9Cl2F2NO2.Na/c15-10-5-9(18)6-11(16)14(10)19-12-2-1-8(17)3-7(12)4-13(20)21;/h1-3,5-6,19H,4H2,(H,20,21);/q;+1/p-1
InChIKeyXNDWYMIIOJGSES-UHFFFAOYSA-M
MW354.12 g/mol
LogP0.31
Rot. Bonds4

About sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate

sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate (PubChem CID 23689693) has the molecular formula C14H8Cl2F2NNaO2 and a molecular weight of 354.12 g/mol. Its IUPAC name is sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate.

Molecular Properties

Compound Namesodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate
PubChem CID23689693
Molecular FormulaC14H8Cl2F2NNaO2
Molecular Weight354.12 g/mol
Exact Mass352.98
IUPAC Namesodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate
SMILESO=C([O-])Cc1cc(F)ccc1Nc1c(Cl)cc(F)cc1Cl.[Na+]
InChIInChI=1S/C14H9Cl2F2NO2.Na/c15-10-5-9(18)6-11(16)14(10)19-12-2-1-8(17)3-7(12)4-13(20)21;/h1-3,5-6,19H,4H2,(H,20,21);/q;+1/p-1
InChIKeyXNDWYMIIOJGSES-UHFFFAOYSA-M
XLogP0.31
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
CID 23689082
2-(2,5-difluorophenyl)acetate
CID 6951702
2-[2-(2-chloro-4-fluoroanilino)-5-methylphenyl]acetic acid
CID 141066833
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorophenol
CID 107694554
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420
4-amino-3-(2,6-dichloro-4-fluoroanilino)benzamide
CID 83076786
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
1-(2-chloro-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446364
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107904696
sodium 2-[2-amino-3-(4-chlorobenzoyl)-5-fluorophenyl]acetate
CID 23711005
methyl 3-(2-chloro-4-fluoroanilino)-2,2-dimethylpropanoate
CID 79623625

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate?
The IUPAC name of sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate (CID 23689693) is sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate.
What is the SMILES notation for sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate?
The canonical SMILES for sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate is O=C([O-])Cc1cc(F)ccc1Nc1c(Cl)cc(F)cc1Cl.[Na+].
What is the InChIKey of sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate?
The InChIKey is XNDWYMIIOJGSES-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9Cl2F2NO2.Na/c15-10-5-9(18)6-11(16)14(10)19-12-2-1-8(17)3-7(12)4-13(20)21;/h1-3,5-6,19H,4H2,(H,20,21);/q;+1/p-1.
What are the key properties of sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate?
sodium 2-[2-(2,6-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate has a molecular weight of 354.12 g/mol, XLogP of 0.31, 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-dichloro-4-fluoroanilino)-5-fluorophenyl]acetate is sourced from PubChem (CID 23689693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).