[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate

C15H10ClF2NO3 — CID 2515596

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)Nc1cccc(Cl)c1
InChIInChI=1S/C15H10ClF2NO3/c16-9-3-1-4-10(7-9)19-13(20)8-22-15(21)14-11(17)5-2-6-12(14)18/h1-7H,8H2,(H,19,20)
InChIKeyRYURATDPMYZONA-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.41
Rot. Bonds4

About [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate

[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate (PubChem CID 2515596) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
PubChem CID2515596
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1F)Nc1cccc(Cl)c1
InChIInChI=1S/C15H10ClF2NO3/c16-9-3-1-4-10(7-9)19-13(20)8-22-15(21)14-11(17)5-2-6-12(14)18/h1-7H,8H2,(H,19,20)
InChIKeyRYURATDPMYZONA-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] 2,6-difluorobenzoate
CID 2515125
[2-(3-chloroanilino)-2-oxoethyl] 2,5-difluorobenzoate
CID 46925028
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
[2-(3-chloroanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386505
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602170
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,6-difluorobenzoate
CID 2100586
[2-(3-chloroanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2682165
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007151
[2-(4-tert-butylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725764
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759274

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate (CID 2515596) is [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate is O=C(COC(=O)c1c(F)cccc1F)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate?
The InChIKey is RYURATDPMYZONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-9-3-1-4-10(7-9)19-13(20)8-22-15(21)14-11(17)5-2-6-12(14)18/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate?
[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate 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-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate is sourced from PubChem (CID 2515596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).