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

C17H17BrFNO2 — CID 2527844

IUPAC2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1C1CC1
InChIInChI=1S/C17H17BrFNO2/c1-10-7-14(11(2)20(10)13-4-5-13)16(21)9-22-17-6-3-12(18)8-15(17)19/h3,6-8,13H,4-5,9H2,1-2H3
InChIKeyAGSACVYRKYTTLR-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.60
Rot. Bonds5

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

2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 2527844) has the molecular formula C17H17BrFNO2 and a molecular weight of 366.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID2527844
Molecular FormulaC17H17BrFNO2
Molecular Weight366.23 g/mol
Exact Mass365.04
IUPAC Name2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1C1CC1
InChIInChI=1S/C17H17BrFNO2/c1-10-7-14(11(2)20(10)13-4-5-13)16(21)9-22-17-6-3-12(18)8-15(17)19/h3,6-8,13H,4-5,9H2,1-2H3
InChIKeyAGSACVYRKYTTLR-UHFFFAOYSA-N
XLogP4.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
CID 2525555
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(3-nitrophenoxy)ethanone
CID 4793954
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
5-Bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
CID 2424629
2-(4-Bromo-2-fluorophenoxy)-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone
CID 4781434
2-(2-Chlorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 7999216
[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704908
[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912239
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 2564498
1-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-nitrophenoxy)ethanone
CID 2632406

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 2527844) is 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2ccc(Br)cc2F)c(C)n1C1CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is AGSACVYRKYTTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO2/c1-10-7-14(11(2)20(10)13-4-5-13)16(21)9-22-17-6-3-12(18)8-15(17)19/h3,6-8,13H,4-5,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 366.23 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 2527844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).