[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C16H13BrFNO4 — CID 7842438

IUPAC[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1ccccc1Br
InChIInChI=1S/C16H13BrFNO4/c17-11-5-1-3-7-13(11)19-15(20)9-23-16(21)10-22-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,20)
InChIKeyWDPDLPTXLWFHCR-UHFFFAOYSA-N
MW382.19 g/mol
LogP3.15
Rot. Bonds6

About [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 7842438) has the molecular formula C16H13BrFNO4 and a molecular weight of 382.19 g/mol. Its IUPAC name is [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID7842438
Molecular FormulaC16H13BrFNO4
Molecular Weight382.19 g/mol
Exact Mass381.00
IUPAC Name[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1ccccc1Br
InChIInChI=1S/C16H13BrFNO4/c17-11-5-1-3-7-13(11)19-15(20)9-23-16(21)10-22-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,20)
InChIKeyWDPDLPTXLWFHCR-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.19
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate 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-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 23790997
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 2358318
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 27914629
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842401
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842388
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 55316488
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594788
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842445

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 7842438) is [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate is O=C(COC(=O)COc1ccccc1F)Nc1ccccc1Br.
What is the InChIKey of [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is WDPDLPTXLWFHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO4/c17-11-5-1-3-7-13(11)19-15(20)9-23-16(21)10-22-14-8-4-2-6-12(14)18/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 382.19 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 7842438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).