2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone

C13H11BrClNO2 — CID 60624990

IUPAC2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClNO2/c1-16-6-2-3-11(16)12(17)8-18-13-5-4-9(14)7-10(13)15/h2-7H,8H2,1H3
InChIKeyBTQOUYQLWYXJQN-UHFFFAOYSA-N
MW328.59 g/mol
LogP3.70
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone

2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 60624990) has the molecular formula C13H11BrClNO2 and a molecular weight of 328.59 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID60624990
Molecular FormulaC13H11BrClNO2
Molecular Weight328.59 g/mol
Exact Mass326.97
IUPAC Name2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCn1cccc1C(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClNO2/c1-16-6-2-3-11(16)12(17)8-18-13-5-4-9(14)7-10(13)15/h2-7H,8H2,1H3
InChIKeyBTQOUYQLWYXJQN-UHFFFAOYSA-N
XLogP3.70
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
5-bromo-2-[2-(1-methylpyrrol-2-yl)-2-oxoethoxy]benzonitrile
CID 80602654
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
2-(3,4-dichlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 60624435
2-(2,4-dimethylphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 43411926
2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 60624989
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 55060707
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-(4-bromo-2-chlorophenoxy)-1-cyclopentylethanone
CID 115648637
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone (CID 60624990) is 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone is Cn1cccc1C(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is BTQOUYQLWYXJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2/c1-16-6-2-3-11(16)12(17)8-18-13-5-4-9(14)7-10(13)15/h2-7H,8H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone?
2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 328.59 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 60624990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).