[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

C17H15BrFNO3 — CID 7796359

IUPAC[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccccc2F)c(Br)c1
InChIInChI=1S/C17H15BrFNO3/c1-11-6-7-15(13(18)8-11)20-16(21)10-23-17(22)9-12-4-2-3-5-14(12)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyRXUMAFWSSXBCOC-UHFFFAOYSA-N
MW380.21 g/mol
LogP3.62
Rot. Bonds5

About [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate

[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (PubChem CID 7796359) has the molecular formula C17H15BrFNO3 and a molecular weight of 380.21 g/mol. Its IUPAC name is [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
PubChem CID7796359
Molecular FormulaC17H15BrFNO3
Molecular Weight380.21 g/mol
Exact Mass379.02
IUPAC Name[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2ccccc2F)c(Br)c1
InChIInChI=1S/C17H15BrFNO3/c1-11-6-7-15(13(18)8-11)20-16(21)10-23-17(22)9-12-4-2-3-5-14(12)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyRXUMAFWSSXBCOC-UHFFFAOYSA-N
XLogP3.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946335
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485659
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 3,3-dimethylbutanoate
CID 7950953
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796348
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 7775273
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544642
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-acetamidopropanoate
CID 7197836
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834241
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
N-(2-bromo-4-methylphenyl)-3-(2,5-difluorophenyl)propanamide
CID 60564533
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544790

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The IUPAC name of [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate (CID 7796359) is [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The canonical SMILES for [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is Cc1ccc(NC(=O)COC(=O)Cc2ccccc2F)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
The InChIKey is RXUMAFWSSXBCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO3/c1-11-6-7-15(13(18)8-11)20-16(21)10-23-17(22)9-12-4-2-3-5-14(12)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate?
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate has a molecular weight of 380.21 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 7796359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).