[2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate

C15H8Br2ClF2NO3 — CID 2432324

IUPAC[2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
SMILESO=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(Br)cc1Br
InChIInChI=1S/C15H8Br2ClF2NO3/c16-7-1-2-13(9(17)3-7)21-14(22)6-24-15(23)8-4-11(19)12(20)5-10(8)18/h1-5H,6H2,(H,21,22)
InChIKeyHPRIWXRTRHNZLU-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.94
Rot. Bonds4

About [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate

[2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate (PubChem CID 2432324) has the molecular formula C15H8Br2ClF2NO3 and a molecular weight of 483.49 g/mol. Its IUPAC name is [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate.

Molecular Properties

Compound Name[2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
PubChem CID2432324
Molecular FormulaC15H8Br2ClF2NO3
Molecular Weight483.49 g/mol
Exact Mass480.85
IUPAC Name[2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
SMILESO=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(Br)cc1Br
InChIInChI=1S/C15H8Br2ClF2NO3/c16-7-1-2-13(9(17)3-7)21-14(22)6-24-15(23)8-4-11(19)12(20)5-10(8)18/h1-5H,6H2,(H,21,22)
InChIKeyHPRIWXRTRHNZLU-UHFFFAOYSA-N
XLogP4.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 55397271
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809950
[2-(2,4-dibromoanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 2355123
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 27981788
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2466626
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864571
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 16524641
[2-(2-cyanoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382609
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 29434502
[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629644

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate?
The IUPAC name of [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate (CID 2432324) is [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate.
What is the SMILES notation for [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate?
The canonical SMILES for [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate is O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(Br)cc1Br.
What is the InChIKey of [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate?
The InChIKey is HPRIWXRTRHNZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2ClF2NO3/c16-7-1-2-13(9(17)3-7)21-14(22)6-24-15(23)8-4-11(19)12(20)5-10(8)18/h1-5H,6H2,(H,21,22).
What are the key properties of [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate?
[2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate has a molecular weight of 483.49 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dibromoanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate is sourced from PubChem (CID 2432324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).