(3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

C26H25ClN2O4 — CID 92691045

About (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

(3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 92691045) has the molecular formula C26H25ClN2O4 and a molecular weight of 464.95 g/mol. Its IUPAC name is (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

• Compound Name: (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
• PubChem CID: 92691045
• Molecular Formula: C26H25ClN2O4
• Molecular Weight: 464.95 g/mol
• Exact Mass: 464.15
• IUPAC Name: (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
• SMILES: COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2C)N2Cc3ccccc3C2=O)cc1OC
• InChI: InChI=1S/C26H25ClN2O4/c1-16-20(27)9-6-10-21(16)28-25(30)14-22(17-11-12-23(32-2)24(13-17)33-3)29-15-18-7-4-5-8-19(18)26(29)31/h4-13,22H,14-15H2,1-3H3,(H,28,30)/t22-/m1/s1
• InChIKey: XHNSDDRFXMOVTP-JOCHJYFZSA-N
• XLogP: 5.39
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.95
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?

The IUPAC name of (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 92691045) is (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide.

What is the SMILES notation for (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?

The canonical SMILES for (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide is COc1ccc([C@@H](CC(=O)Nc2cccc(Cl)c2C)N2Cc3ccccc3C2=O)cc1OC.

What is the InChIKey of (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?

The InChIKey is XHNSDDRFXMOVTP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25ClN2O4/c1-16-20(27)9-6-10-21(16)28-25(30)14-22(17-11-12-23(32-2)24(13-17)33-3)29-15-18-7-4-5-8-19(18)26(29)31/h4-13,22H,14-15H2,1-3H3,(H,28,30)/t22-/m1/s1.

What are the key properties of (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide?

(3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 464.95 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 92691045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).