2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

C17H20BrNO2 — CID 82809714

IUPAC2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCn1c(C)cc(C(=O)COCc2ccccc2Br)c1C
InChIInChI=1S/C17H20BrNO2/c1-4-19-12(2)9-15(13(19)3)17(20)11-21-10-14-7-5-6-8-16(14)18/h5-9H,4,10-11H2,1-3H3
InChIKeyGHKCFADTRLRZAP-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.29
Rot. Bonds6

About 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 82809714) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID82809714
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCn1c(C)cc(C(=O)COCc2ccccc2Br)c1C
InChIInChI=1S/C17H20BrNO2/c1-4-19-12(2)9-15(13(19)3)17(20)11-21-10-14-7-5-6-8-16(14)18/h5-9H,4,10-11H2,1-3H3
InChIKeyGHKCFADTRLRZAP-UHFFFAOYSA-N
XLogP4.29
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methylbut-3-enoxy)ethanone
CID 114470275
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 27988584
2-(5-bromo-2-fluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 114674086
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8746108
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525714
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethanone
CID 62030051
2-(3,5-difluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 62400323
2-cyclopentyloxy-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 43799424
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(N-methylanilino)ethanone
CID 43226577
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891953

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 82809714) is 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is CCn1c(C)cc(C(=O)COCc2ccccc2Br)c1C.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is GHKCFADTRLRZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-19-12(2)9-15(13(19)3)17(20)11-21-10-14-7-5-6-8-16(14)18/h5-9H,4,10-11H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 350.26 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 82809714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).