3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

C19H20BrNO3 — CID 43912360

IUPAC3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCOc1c(Br)cc(CC2C(=O)Nc3c(C)cccc32)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-4-24-18-15(20)9-12(10-16(18)23-3)8-14-13-7-5-6-11(2)17(13)21-19(14)22/h5-7,9-10,14H,4,8H2,1-3H3,(H,21,22)
InChIKeyCVTNXRSALIHTFT-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.44
Rot. Bonds5

About 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one

3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 43912360) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID43912360
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCCOc1c(Br)cc(CC2C(=O)Nc3c(C)cccc32)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-4-24-18-15(20)9-12(10-16(18)23-3)8-14-13-7-5-6-11(2)17(13)21-19(14)22/h5-7,9-10,14H,4,8H2,1-3H3,(H,21,22)
InChIKeyCVTNXRSALIHTFT-UHFFFAOYSA-N
XLogP4.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (CID 43912360) is 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is CCOc1c(Br)cc(CC2C(=O)Nc3c(C)cccc32)cc1OC.
What is the InChIKey of 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is CVTNXRSALIHTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-4-24-18-15(20)9-12(10-16(18)23-3)8-14-13-7-5-6-11(2)17(13)21-19(14)22/h5-7,9-10,14H,4,8H2,1-3H3,(H,21,22).
What are the key properties of 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 390.28 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).