[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate

C15H10ClF2NO3 — CID 46859628

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H10ClF2NO3/c16-12-6-9(4-5-13(12)18)15(21)22-8-14(20)19-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,19,20)
InChIKeyLFASCTKBUAUSGJ-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.41
Rot. Bonds4

About [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate

[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate (PubChem CID 46859628) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
PubChem CID46859628
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H10ClF2NO3/c16-12-6-9(4-5-13(12)18)15(21)22-8-14(20)19-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,19,20)
InChIKeyLFASCTKBUAUSGJ-UHFFFAOYSA-N
XLogP3.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386670
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate
CID 2350542
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781191
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859616
[2-(3-fluoroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515125
[2-(3-chloroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386505
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(3-fluoroanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678537
[2-(3-fluoroanilino)-2-oxoethyl] 3,5-dibromo-4-hydroxybenzoate
CID 75433817
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7417355
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781603

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate (CID 46859628) is [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate is O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate?
The InChIKey is LFASCTKBUAUSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-12-6-9(4-5-13(12)18)15(21)22-8-14(20)19-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate?
[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate has a molecular weight of 325.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate is sourced from PubChem (CID 46859628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).