(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide

C28H30Cl2N2O2 — CID 100545882

About (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide

(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 100545882) has the molecular formula C28H30Cl2N2O2 and a molecular weight of 497.47 g/mol. Its IUPAC name is (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• PubChem CID: 100545882
• Molecular Formula: C28H30Cl2N2O2
• Molecular Weight: 497.47 g/mol
• Exact Mass: 496.17
• IUPAC Name: (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• SMILES: Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1
• InChI: InChI=1S/C28H30Cl2N2O2/c1-19(2)31-28(34)26(16-21-10-5-4-6-11-21)32(18-23-24(29)13-8-14-25(23)30)27(33)17-22-12-7-9-20(3)15-22/h4-15,19,26H,16-18H2,1-3H3,(H,31,34)/t26-/m1/s1
• InChIKey: PWXIABYWIZTGJS-AREMUKBSSA-N
• XLogP: 6.01
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.47
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The IUPAC name of (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 100545882) is (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

What is the SMILES notation for (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The canonical SMILES for (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide is Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1.

What is the InChIKey of (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The InChIKey is PWXIABYWIZTGJS-AREMUKBSSA-N. The full InChI is InChI=1S/C28H30Cl2N2O2/c1-19(2)31-28(34)26(16-21-10-5-4-6-11-21)32(18-23-24(29)13-8-14-25(23)30)27(33)17-22-12-7-9-20(3)15-22/h4-15,19,26H,16-18H2,1-3H3,(H,31,34)/t26-/m1/s1.

What are the key properties of (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 497.47 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2,6-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 100545882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).