5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one

C31H26ClNO2 — CID 69436783

IUPAC5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one
SMILESCOc1ccc2ccccc2c1CC1=Cc2ccccc2C1C1C(=O)Nc2ccc(CCCl)cc21
InChIInChI=1S/C31H26ClNO2/c1-35-28-13-11-20-6-2-4-8-23(20)25(28)18-22-17-21-7-3-5-9-24(21)29(22)30-26-16-19(14-15-32)10-12-27(26)33-31(30)34/h2-13,16-17,29-30H,14-15,18H2,1H3,(H,33,34)
InChIKeyAHKJHZIFCHMHMY-UHFFFAOYSA-N
MW480.01 g/mol
LogP7.09
Rot. Bonds6

About 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one

5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one (PubChem CID 69436783) has the molecular formula C31H26ClNO2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one
PubChem CID69436783
Molecular FormulaC31H26ClNO2
Molecular Weight480.01 g/mol
Exact Mass479.17
IUPAC Name5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one
SMILESCOc1ccc2ccccc2c1CC1=Cc2ccccc2C1C1C(=O)Nc2ccc(CCCl)cc21
InChIInChI=1S/C31H26ClNO2/c1-35-28-13-11-20-6-2-4-8-23(20)25(28)18-22-17-21-7-3-5-9-24(21)29(22)30-26-16-19(14-15-32)10-12-27(26)33-31(30)34/h2-13,16-17,29-30H,14-15,18H2,1H3,(H,33,34)
InChIKeyAHKJHZIFCHMHMY-UHFFFAOYSA-N
XLogP7.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one (CID 69436783) is 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one is COc1ccc2ccccc2c1CC1=Cc2ccccc2C1C1C(=O)Nc2ccc(CCCl)cc21.
What is the InChIKey of 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is AHKJHZIFCHMHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClNO2/c1-35-28-13-11-20-6-2-4-8-23(20)25(28)18-22-17-21-7-3-5-9-24(21)29(22)30-26-16-19(14-15-32)10-12-27(26)33-31(30)34/h2-13,16-17,29-30H,14-15,18H2,1H3,(H,33,34).
What are the key properties of 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one?
5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 480.01 g/mol, XLogP of 7.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-[2-[(2-methoxynaphthalen-1-yl)methyl]-1H-inden-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 69436783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).