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

C15H11ClFNO3 — CID 2350542

IUPAC[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFNO3/c16-12-8-11(6-7-13(12)17)18-14(19)9-21-15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeySXGXMFOUROWPHV-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.27
Rot. Bonds4

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

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate (PubChem CID 2350542) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate
PubChem CID2350542
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFNO3/c16-12-8-11(6-7-13(12)17)18-14(19)9-21-15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeySXGXMFOUROWPHV-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781191
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 7203949
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2338296
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-anilinobenzoate
CID 7857721
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] anthracene-9-carboxylate
CID 7786622
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
[2-(3-fluoroanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859628
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542838
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505971
[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
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691735

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate (CID 2350542) is [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate?
The InChIKey is SXGXMFOUROWPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-12-8-11(6-7-13(12)17)18-14(19)9-21-15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate?
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate has a molecular weight of 307.71 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] benzoate is sourced from PubChem (CID 2350542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).