1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone

C16H12BrNO — CID 158169595

IUPAC1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone
SMILESO=C(Cc1ccc2[nH]ccc2c1)c1ccccc1Br
InChIInChI=1S/C16H12BrNO/c17-14-4-2-1-3-13(14)16(19)10-11-5-6-15-12(9-11)7-8-18-15/h1-9,18H,10H2
InChIKeyGUWZWIDHADCBSW-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.36
Rot. Bonds3

About 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone

1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone (PubChem CID 158169595) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone
PubChem CID158169595
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone
SMILESO=C(Cc1ccc2[nH]ccc2c1)c1ccccc1Br
InChIInChI=1S/C16H12BrNO/c17-14-4-2-1-3-13(14)16(19)10-11-5-6-15-12(9-11)7-8-18-15/h1-9,18H,10H2
InChIKeyGUWZWIDHADCBSW-UHFFFAOYSA-N
XLogP4.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-cyclopropyl-N-(1H-indol-5-ylmethyl)benzamide
CID 39313071
methyl 2-(1H-indol-5-yl)acetate
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CID 58564622
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CID 147193150
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CID 84577573
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
1-(3-aminoindol-1-yl)-2-(1H-indol-5-yl)ethanone
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1H-indol-5-ylmethanesulfonamide;sulfuric acid
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2-(1H-indol-5-yl)-N-(6-methoxypyridazin-3-yl)acetamide
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2-(1H-indol-5-yl)acetic acid;4-nitro-1H-indole
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CID 110476487
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CID 44609869

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone (CID 158169595) is 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone is O=C(Cc1ccc2[nH]ccc2c1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone?
The InChIKey is GUWZWIDHADCBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-14-4-2-1-3-13(14)16(19)10-11-5-6-15-12(9-11)7-8-18-15/h1-9,18H,10H2.
What are the key properties of 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone?
1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone has a molecular weight of 314.18 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone is sourced from PubChem (CID 158169595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).