2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

C14H13BrClNO2 — CID 31120315

IUPAC2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(Cl)cc2Br)c(C)[nH]1
InChIInChI=1S/C14H13BrClNO2/c1-8-5-11(9(2)17-8)13(18)7-19-14-4-3-10(16)6-12(14)15/h3-6,17H,7H2,1-2H3
InChIKeyINUFKUWDSXKRGP-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.31
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 31120315) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID31120315
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)COc2ccc(Cl)cc2Br)c(C)[nH]1
InChIInChI=1S/C14H13BrClNO2/c1-8-5-11(9(2)17-8)13(18)7-19-14-4-3-10(16)6-12(14)15/h3-6,17H,7H2,1-2H3
InChIKeyINUFKUWDSXKRGP-UHFFFAOYSA-N
XLogP4.31
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-bromo-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethoxy]benzoate
CID 24652267
2-(2-bromo-4-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656484
1-(2-bromo-4-chlorophenoxy)-3-methylbutan-2-one
CID 78949293
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
2-(2-bromo-4-chlorophenoxy)-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 112786445
2-(2-bromo-4-chlorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 55373790
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402
2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5229734
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CID 31120315) is 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is Cc1cc(C(=O)COc2ccc(Cl)cc2Br)c(C)[nH]1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is INUFKUWDSXKRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-8-5-11(9(2)17-8)13(18)7-19-14-4-3-10(16)6-12(14)15/h3-6,17H,7H2,1-2H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 342.62 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 31120315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).