1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone

C19H20BrNO4 — CID 164617081

IUPAC1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCc3cc(Br)ccc32)cc(OC)c1OC
InChIInChI=1S/C19H20BrNO4/c1-23-16-8-12(9-17(24-2)19(16)25-3)10-18(22)21-7-6-13-11-14(20)4-5-15(13)21/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyVVVJTQFKXSCUGV-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.61
Rot. Bonds5

About 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone

1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 164617081) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID164617081
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(CC(=O)N2CCc3cc(Br)ccc32)cc(OC)c1OC
InChIInChI=1S/C19H20BrNO4/c1-23-16-8-12(9-17(24-2)19(16)25-3)10-18(22)21-7-6-13-11-14(20)4-5-15(13)21/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyVVVJTQFKXSCUGV-UHFFFAOYSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methylindolin-1-yl)(3,4,5-trimethoxyphenyl)methanone
CID 607139
1-(3,4,5-Trimethoxybenzoyl)indoline
CID 729922
(3Z)-5-Bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 6075235
N-(4-bromophenyl)-3,4,5-trimethoxybenzamide
CID 1019287
(5-Methoxy-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24906206
(5-Methoxy-2-methyl-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24906207
5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 71727198
5-bromo-3,3-bis(4-hydroxy-3-methoxyphenyl)-1-methyl-1,3-dihydro-2H-indol-2-one
CID 2906737
(3E)-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one
CID 7528391
(5-Bromo-2,3-dihydroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 139035061
5-Bromo-3-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-indol-2-one
CID 16015325
(3Z)-1-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one
CID 60147494

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone (CID 164617081) is 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(CC(=O)N2CCc3cc(Br)ccc32)cc(OC)c1OC.
What is the InChIKey of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is VVVJTQFKXSCUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-23-16-8-12(9-17(24-2)19(16)25-3)10-18(22)21-7-6-13-11-14(20)4-5-15(13)21/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone?
1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 406.28 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydroindol-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 164617081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).