2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H15BrFNO2 — CID 2105329

IUPAC2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(F)cc2Br)c(C)n1C
InChIInChI=1S/C15H15BrFNO2/c1-9-6-12(10(2)18(9)3)14(19)8-20-15-5-4-11(17)7-13(15)16/h4-7H,8H2,1-3H3
InChIKeyWXDKSXCMPONQCX-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.81
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 2105329) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID2105329
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(F)cc2Br)c(C)n1C
InChIInChI=1S/C15H15BrFNO2/c1-9-6-12(10(2)18(9)3)14(19)8-20-15-5-4-11(17)7-13(15)16/h4-7H,8H2,1-3H3
InChIKeyWXDKSXCMPONQCX-UHFFFAOYSA-N
XLogP3.81
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Bromo-4-chlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2081601
2-(2-Bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 2109790
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2424508
2-(4-Bromo-2-fluorophenoxy)-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone
CID 4781434
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8605707
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2411576
2-(2-Bromo-4-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 2525922
2-(4-Bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 2527844
[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-bromofuran-2-carboxylate
CID 2535492
1-(2,5-Dimethyl-1-phenylpyrrol-3-yl)-2-(4-fluorophenoxy)ethanone
CID 2380594
N-[4-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethoxy]phenyl]acetamide
CID 4817287
4-[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
CID 7931363

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 2105329) is 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2ccc(F)cc2Br)c(C)n1C.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is WXDKSXCMPONQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-9-6-12(10(2)18(9)3)14(19)8-20-15-5-4-11(17)7-13(15)16/h4-7H,8H2,1-3H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 340.19 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 2105329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).