[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate

C15H10BrClFNO3 — CID 7762622

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H10BrClFNO3/c16-9-5-6-11(17)10(7-9)15(21)22-8-14(20)19-13-4-2-1-3-12(13)18/h1-7H,8H2,(H,19,20)
InChIKeyLUYZPHAXVNQEMW-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.04
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate

[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate (PubChem CID 7762622) has the molecular formula C15H10BrClFNO3 and a molecular weight of 386.60 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
PubChem CID7762622
Molecular FormulaC15H10BrClFNO3
Molecular Weight386.60 g/mol
Exact Mass384.95
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESO=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H10BrClFNO3/c16-9-5-6-11(17)10(7-9)15(21)22-8-14(20)19-13-4-2-1-3-12(13)18/h1-7H,8H2,(H,19,20)
InChIKeyLUYZPHAXVNQEMW-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2400404
[2-(2-fluoroanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503213
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 27981788
[2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 2432324
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2466626
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525418
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 16524641
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809950
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864571
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 7762534

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate (CID 7762622) is [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate is O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The InChIKey is LUYZPHAXVNQEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO3/c16-9-5-6-11(17)10(7-9)15(21)22-8-14(20)19-13-4-2-1-3-12(13)18/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate has a molecular weight of 386.60 g/mol, XLogP of 4.04, 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] 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 7762622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).