[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate

C15H10BrClFNO3 — CID 8629644

IUPAC[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1F)Nc1ccccc1Br
InChIInChI=1S/C15H10BrClFNO3/c16-11-3-1-2-4-13(11)19-14(20)8-22-15(21)10-6-5-9(17)7-12(10)18/h1-7H,8H2,(H,19,20)
InChIKeyUHJRMBLJGWHLLW-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.04
Rot. Bonds4

About [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate

[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate (PubChem CID 8629644) has the molecular formula C15H10BrClFNO3 and a molecular weight of 386.60 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
PubChem CID8629644
Molecular FormulaC15H10BrClFNO3
Molecular Weight386.60 g/mol
Exact Mass384.95
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1F)Nc1ccccc1Br
InChIInChI=1S/C15H10BrClFNO3/c16-11-3-1-2-4-13(11)19-14(20)8-22-15(21)10-6-5-9(17)7-12(10)18/h1-7H,8H2,(H,19,20)
InChIKeyUHJRMBLJGWHLLW-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

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509052
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 27981788
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 55397271
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624004
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619878
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619913
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7762622
[2-(2-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2396477
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-bromobenzoate
CID 2624069

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate (CID 8629644) is [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate is O=C(COC(=O)c1ccc(Cl)cc1F)Nc1ccccc1Br.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate?
The InChIKey is UHJRMBLJGWHLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO3/c16-11-3-1-2-4-13(11)19-14(20)8-22-15(21)10-6-5-9(17)7-12(10)18/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate?
[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate 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-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate is sourced from PubChem (CID 8629644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).