(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide

C₂₁H₂₄Cl₂N₂O₃ — CID 56670128

About (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide

(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide (PubChem CID 56670128) has the molecular formula C₂₁H₂₄Cl₂N₂O₃ and a molecular weight of 423.34 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide
• PubChem CID: 56670128
• Molecular Formula: C₂₁H₂₄Cl₂N₂O₃
• Molecular Weight: 423.34 g/mol
• Exact Mass: 422.12
• IUPAC Name: (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide
• SMILES: CC(CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1
• InChI: InChI=1S/C21H24Cl2N2O3/c1-14(10-11-26)24-21(28)19(12-15-2-6-17(22)7-3-15)25-20(27)13-16-4-8-18(23)9-5-16/h2-9,14,19,26H,10-13H2,1H3,(H,24,28)(H,25,27)/t14?,19-/m1/s1
• InChIKey: BVRSPIJLGRQHSF-JANGERMGSA-N
• XLogP: 3.15
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.34
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide?

The IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide (CID 56670128) is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide.

What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide?

The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide is CC(CCO)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(Cl)cc1.

What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide?

The InChIKey is BVRSPIJLGRQHSF-JANGERMGSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-14(10-11-26)24-21(28)19(12-15-2-6-17(22)7-3-15)25-20(27)13-16-4-8-18(23)9-5-16/h2-9,14,19,26H,10-13H2,1H3,(H,24,28)(H,25,27)/t14?,19-/m1/s1.

What are the key properties of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide?

(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide has a molecular weight of 423.34 g/mol, XLogP of 3.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(4-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 56670128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 56670128 — identifiers, structure, computed properties (public domain)

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