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

C15H10BrClFNO3 — CID 2570281

IUPAC[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C15H10BrClFNO3/c16-9-1-4-11(5-2-9)19-14(20)8-22-15(21)12-6-3-10(18)7-13(12)17/h1-7H,8H2,(H,19,20)
InChIKeyINDGANQFMCYJOK-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.04
Rot. Bonds4

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

[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2570281) has the molecular formula C15H10BrClFNO3 and a molecular weight of 386.60 g/mol. Its IUPAC name is [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID2570281
Molecular FormulaC15H10BrClFNO3
Molecular Weight386.60 g/mol
Exact Mass384.95
IUPAC Name[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc(Br)cc1
InChIInChI=1S/C15H10BrClFNO3/c16-9-1-4-11(5-2-9)19-14(20)8-22-15(21)12-6-3-10(18)7-13(12)17/h1-7H,8H2,(H,19,20)
InChIKeyINDGANQFMCYJOK-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-(4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349809
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2397872
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570088
[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 2616550
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2353255
[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2416966
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349879
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823510
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
[2-(4-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536586
[2-(4-bromoanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 7724337
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149287

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 2570281) is [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1Cl)Nc1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is INDGANQFMCYJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFNO3/c16-9-1-4-11(5-2-9)19-14(20)8-22-15(21)12-6-3-10(18)7-13(12)17/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-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-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2570281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).