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

C17H16BrNO2 — CID 43912366

IUPAC3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(Br)c(CC2C(=O)Nc3c(C)cccc32)c1
InChIInChI=1S/C17H16BrNO2/c1-10-4-3-5-13-14(17(20)19-16(10)13)9-11-8-12(21-2)6-7-15(11)18/h3-8,14H,9H2,1-2H3,(H,19,20)
InChIKeyNPUGPIBPKSUUOE-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.04
Rot. Bonds3

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

3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (PubChem CID 43912366) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
PubChem CID43912366
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(Br)c(CC2C(=O)Nc3c(C)cccc32)c1
InChIInChI=1S/C17H16BrNO2/c1-10-4-3-5-13-14(17(20)19-16(10)13)9-11-8-12(21-2)6-7-15(11)18/h3-8,14H,9H2,1-2H3,(H,19,20)
InChIKeyNPUGPIBPKSUUOE-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 98160364
7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912363
(3R)-3-[(2-bromo-5-methoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367542
3-[(2-chloro-4,5-dimethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912372
(9R,18R,27R)-9,18,27-tris[(2-bromo-5-methoxyphenyl)methyl]heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 15448864
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912430
3-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 104679407
trans-(2S,6S)-2,6-bis[(2-bromo-5-methoxyphenyl)methyl]cyclohexan-1-one
CID 95387471
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
CID 106987031
3-cyclohexyl-7-methyl-1,3-dihydroindol-2-one
CID 82081633
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 43912483

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one (CID 43912366) is 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is COc1ccc(Br)c(CC2C(=O)Nc3c(C)cccc32)c1.
What is the InChIKey of 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is NPUGPIBPKSUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-10-4-3-5-13-14(17(20)19-16(10)13)9-11-8-12(21-2)6-7-15(11)18/h3-8,14H,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one?
3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 346.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).