1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone

C17H14BrNO2 — CID 83164594

IUPAC1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone
SMILESCOc1cccc2c1ccn2CC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-21-17-7-3-6-15-14(17)8-9-19(15)11-16(20)12-4-2-5-13(18)10-12/h2-10H,11H2,1H3
InChIKeyLFBIRFDESHNJMJ-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.30
Rot. Bonds4

About 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone

1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone (PubChem CID 83164594) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone
PubChem CID83164594
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone
SMILESCOc1cccc2c1ccn2CC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H14BrNO2/c1-21-17-7-3-6-15-14(17)8-9-19(15)11-16(20)12-4-2-5-13(18)10-12/h2-10H,11H2,1H3
InChIKeyLFBIRFDESHNJMJ-UHFFFAOYSA-N
XLogP4.30
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
2-(4-methoxyindol-1-yl)-1-thiophen-2-ylethanone
CID 83162814
1-(3-bromophenyl)-2-(4,6-dichloroindol-1-yl)ethanone
CID 103427977
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571777
(2,6-dimethoxyphenyl) 3-bromobenzoate
CID 2552301
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
1-heptyl-4-methoxyindole
CID 83174164
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
2-(4-bromoindol-1-yl)-1-(3,4-difluorophenyl)ethanone
CID 115351663
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone (CID 83164594) is 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone is COc1cccc2c1ccn2CC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone?
The InChIKey is LFBIRFDESHNJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-21-17-7-3-6-15-14(17)8-9-19(15)11-16(20)12-4-2-5-13(18)10-12/h2-10H,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone?
1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone has a molecular weight of 344.21 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-methoxyindol-1-yl)ethanone is sourced from PubChem (CID 83164594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).