[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C17H15BrFNO5 — CID 2466756

IUPAC[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H15BrFNO5/c1-23-12-3-5-13(6-4-12)24-10-17(22)25-9-16(21)20-15-7-2-11(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyCPQFVIMJHMZELR-UHFFFAOYSA-N
MW412.21 g/mol
LogP3.16
Rot. Bonds7

About [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2466756) has the molecular formula C17H15BrFNO5 and a molecular weight of 412.21 g/mol. Its IUPAC name is [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2466756
Molecular FormulaC17H15BrFNO5
Molecular Weight412.21 g/mol
Exact Mass411.01
IUPAC Name[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H15BrFNO5/c1-23-12-3-5-13(6-4-12)24-10-17(22)25-9-16(21)20-15-7-2-11(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyCPQFVIMJHMZELR-UHFFFAOYSA-N
XLogP3.16
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 35564996
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988260
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846854
N'-[(Z)-[4-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126156999
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41463972
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609611
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706675
N-(4-bromo-2-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 53267565

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 2466756) is [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is CPQFVIMJHMZELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO5/c1-23-12-3-5-13(6-4-12)24-10-17(22)25-9-16(21)20-15-7-2-11(18)8-14(15)19/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 412.21 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2466756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).