[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate

C15H10Cl2FNO3 — CID 2356595

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H10Cl2FNO3/c16-9-4-3-5-10(17)14(9)15(21)22-8-13(20)19-12-7-2-1-6-11(12)18/h1-7H,8H2,(H,19,20)
InChIKeyKJLACVQZLVAXCI-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.93
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2356595) has the molecular formula C15H10Cl2FNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2356595
Molecular FormulaC15H10Cl2FNO3
Molecular Weight342.15 g/mol
Exact Mass341.00
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H10Cl2FNO3/c16-9-4-3-5-10(17)14(9)15(21)22-8-13(20)19-12-7-2-1-6-11(12)18/h1-7H,8H2,(H,19,20)
InChIKeyKJLACVQZLVAXCI-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 2501220
[2-(2-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2396477
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723836
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820428
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723823

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 2356595) is [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is KJLACVQZLVAXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO3/c16-9-4-3-5-10(17)14(9)15(21)22-8-13(20)19-12-7-2-1-6-11(12)18/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 342.15 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2356595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).