[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

C19H16BrNO3 — CID 2362813

IUPAC[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H16BrNO3/c20-15-5-3-4-13(10-15)18(22)12-24-19(23)9-8-14-11-21-17-7-2-1-6-16(14)17/h1-7,10-11,21H,8-9,12H2
InChIKeyOFKPMMOQQACKNI-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.29
Rot. Bonds6

About [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate

[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (PubChem CID 2362813) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
PubChem CID2362813
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC Name[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H16BrNO3/c20-15-5-3-4-13(10-15)18(22)12-24-19(23)9-8-14-11-21-17-7-2-1-6-16(14)17/h1-7,10-11,21H,8-9,12H2
InChIKeyOFKPMMOQQACKNI-UHFFFAOYSA-N
XLogP4.29
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 8675713
[2-(3-nitrophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 1497608
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169259
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2497114
[2-(4-nitrophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 16645384
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2128394
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2556581
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7629003
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
[2-(1-adamantyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 3908637

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate (CID 2362813) is [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)OCC(=O)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is OFKPMMOQQACKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c20-15-5-3-4-13(10-15)18(22)12-24-19(23)9-8-14-11-21-17-7-2-1-6-16(14)17/h1-7,10-11,21H,8-9,12H2.
What are the key properties of [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate?
[2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 386.25 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2362813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).