3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one

C23H18Cl2N2O — CID 7547806

IUPAC3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one
SMILESC/C(=N\Cc1ccccc1)C1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C23H18Cl2N2O/c1-15(26-14-16-8-3-2-4-9-16)21-17-10-5-6-13-20(17)27(23(21)28)22-18(24)11-7-12-19(22)25/h2-13,21H,14H2,1H3/b26-15+
InChIKeyWSXNLURHMPGKDO-CVKSISIWSA-N
MW409.32 g/mol
LogP6.42
Rot. Bonds4

About 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one

3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one (PubChem CID 7547806) has the molecular formula C23H18Cl2N2O and a molecular weight of 409.32 g/mol. Its IUPAC name is 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one
PubChem CID7547806
Molecular FormulaC23H18Cl2N2O
Molecular Weight409.32 g/mol
Exact Mass408.08
IUPAC Name3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one
SMILESC/C(=N\Cc1ccccc1)C1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C23H18Cl2N2O/c1-15(26-14-16-8-3-2-4-9-16)21-17-10-5-6-13-20(17)27(23(21)28)22-18(24)11-7-12-19(22)25/h2-13,21H,14H2,1H3/b26-15+
InChIKeyWSXNLURHMPGKDO-CVKSISIWSA-N
XLogP6.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one?
The IUPAC name of 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one (CID 7547806) is 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one.
What is the SMILES notation for 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one?
The canonical SMILES for 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one is C/C(=N\Cc1ccccc1)C1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one?
The InChIKey is WSXNLURHMPGKDO-CVKSISIWSA-N. The full InChI is InChI=1S/C23H18Cl2N2O/c1-15(26-14-16-8-3-2-4-9-16)21-17-10-5-6-13-20(17)27(23(21)28)22-18(24)11-7-12-19(22)25/h2-13,21H,14H2,1H3/b26-15+.
What are the key properties of 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one?
3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one has a molecular weight of 409.32 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-benzyl-C-methylcarbonimidoyl)-1-(2,6-dichlorophenyl)-3H-indol-2-one is sourced from PubChem (CID 7547806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).