[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate

C15H10BrF2NO3 — CID 2627910

IUPAC[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrF2NO3/c16-10-3-6-13(12(18)7-10)19-14(20)8-22-15(21)9-1-4-11(17)5-2-9/h1-7H,8H2,(H,19,20)
InChIKeyMKYUPMMSKVMSGF-UHFFFAOYSA-N
MW370.15 g/mol
LogP3.52
Rot. Bonds4

About [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate

[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate (PubChem CID 2627910) has the molecular formula C15H10BrF2NO3 and a molecular weight of 370.15 g/mol. Its IUPAC name is [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
PubChem CID2627910
Molecular FormulaC15H10BrF2NO3
Molecular Weight370.15 g/mol
Exact Mass368.98
IUPAC Name[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H10BrF2NO3/c16-10-3-6-13(12(18)7-10)19-14(20)8-22-15(21)9-1-4-11(17)5-2-9/h1-7H,8H2,(H,19,20)
InChIKeyMKYUPMMSKVMSGF-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-bromobenzoate
CID 2625811
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988260
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133651
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582246
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42971508
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 2356763
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387880
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502981
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864571
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2643782
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966145

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?
The IUPAC name of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate (CID 2627910) is [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate.
What is the SMILES notation for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?
The canonical SMILES for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1F.
What is the InChIKey of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?
The InChIKey is MKYUPMMSKVMSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2NO3/c16-10-3-6-13(12(18)7-10)19-14(20)8-22-15(21)9-1-4-11(17)5-2-9/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate?
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate has a molecular weight of 370.15 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-fluorobenzoate is sourced from PubChem (CID 2627910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).