1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide

C32H33Cl2N3O5 — CID 18752943

About 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide

1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 18752943) has the molecular formula C32H33Cl2N3O5 and a molecular weight of 610.54 g/mol. Its IUPAC name is 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide
• PubChem CID: 18752943
• Molecular Formula: C32H33Cl2N3O5
• Molecular Weight: 610.54 g/mol
• Exact Mass: 609.18
• IUPAC Name: 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide
• SMILES: COc1ccc(CN2C(=O)C(C)(c3cc(N(C)C(=O)C4CCCN4C(C)=O)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1
• InChI: InChI=1S/C32H33Cl2N3O5/c1-19(38)36-14-6-7-28(36)30(39)35(3)22-10-12-26(34)24(16-22)32(2)25-15-21(33)9-13-27(25)37(31(32)40)18-20-8-11-23(41-4)17-29(20)42-5/h8-13,15-17,28H,6-7,14,18H2,1-5H3
• InChIKey: MYFCBZJXIJBFPS-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 79.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.54
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide?

The IUPAC name of 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide (CID 18752943) is 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide.

What is the SMILES notation for 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide?

The canonical SMILES for 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide is COc1ccc(CN2C(=O)C(C)(c3cc(N(C)C(=O)C4CCCN4C(C)=O)ccc3Cl)c3cc(Cl)ccc32)c(OC)c1.

What is the InChIKey of 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide?

The InChIKey is MYFCBZJXIJBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2N3O5/c1-19(38)36-14-6-7-28(36)30(39)35(3)22-10-12-26(34)24(16-22)32(2)25-15-21(33)9-13-27(25)37(31(32)40)18-20-8-11-23(41-4)17-29(20)42-5/h8-13,15-17,28H,6-7,14,18H2,1-5H3.

What are the key properties of 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide?

1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 610.54 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[4-chloro-3-[5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]phenyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18752943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).