2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one

C22H19ClN2O2 — CID 20854816

IUPAC2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one
SMILESCOc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-27-20-13-7-6-12-19(20)24-21-16-9-3-4-10-17(16)22(26)25(21)14-15-8-2-5-11-18(15)23/h2-13,21,24H,14H2,1H3
InChIKeyAUZHIKOPBUAIAM-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.12
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one

2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one (PubChem CID 20854816) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one
PubChem CID20854816
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one
SMILESCOc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-27-20-13-7-6-12-19(20)24-21-16-9-3-4-10-17(16)22(26)25(21)14-15-8-2-5-11-18(15)23/h2-13,21,24H,14H2,1H3
InChIKeyAUZHIKOPBUAIAM-UHFFFAOYSA-N
XLogP5.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-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 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one (CID 20854816) is 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one is COc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one?
The InChIKey is AUZHIKOPBUAIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-27-20-13-7-6-12-19(20)24-21-16-9-3-4-10-17(16)22(26)25(21)14-15-8-2-5-11-18(15)23/h2-13,21,24H,14H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one?
2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one has a molecular weight of 378.86 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(2-methoxyanilino)-3H-isoindol-1-one is sourced from PubChem (CID 20854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).