4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide

C30H32Cl2N2O5 — CID 91108844

About 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide

4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 91108844) has the molecular formula C30H32Cl2N2O5 and a molecular weight of 571.50 g/mol. Its IUPAC name is 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide
• PubChem CID: 91108844
• Molecular Formula: C30H32Cl2N2O5
• Molecular Weight: 571.50 g/mol
• Exact Mass: 570.17
• IUPAC Name: 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide
• SMILES: COCCNC(=O)c1ccc(Cl)c(CCC2(C)C(=O)N(Cc3ccc(OC)cc3OC)c3ccc(Cl)cc32)c1
• InChI: InChI=1S/C30H32Cl2N2O5/c1-30(12-11-19-15-20(6-9-25(19)32)28(35)33-13-14-37-2)24-16-22(31)7-10-26(24)34(29(30)36)18-21-5-8-23(38-3)17-27(21)39-4/h5-10,15-17H,11-14,18H2,1-4H3,(H,33,35)
• InChIKey: DNNBWNXGLRFJJQ-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.50
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide?

The IUPAC name of 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide (CID 91108844) is 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide?

The canonical SMILES for 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Cl)c(CCC2(C)C(=O)N(Cc3ccc(OC)cc3OC)c3ccc(Cl)cc32)c1.

What is the InChIKey of 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide?

The InChIKey is DNNBWNXGLRFJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O5/c1-30(12-11-19-15-20(6-9-25(19)32)28(35)33-13-14-37-2)24-16-22(31)7-10-26(24)34(29(30)36)18-21-5-8-23(38-3)17-27(21)39-4/h5-10,15-17H,11-14,18H2,1-4H3,(H,33,35).

What are the key properties of 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide?

4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 571.50 g/mol, XLogP of 5.82, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[2-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]ethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 91108844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).