2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide

C28H30Cl2N2O3 — CID 133258022

About 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide

2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 133258022) has the molecular formula C28H30Cl2N2O3 and a molecular weight of 513.47 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• PubChem CID: 133258022
• Molecular Formula: C28H30Cl2N2O3
• Molecular Weight: 513.47 g/mol
• Exact Mass: 512.16
• IUPAC Name: 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide
• SMILES: Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C(Cc2ccccc2)C(=O)NC(C)C)cc1
• InChI: InChI=1S/C28H30Cl2N2O3/c1-19(2)31-28(34)26(15-21-7-5-4-6-8-21)32(17-22-11-12-23(29)16-25(22)30)27(33)18-35-24-13-9-20(3)10-14-24/h4-14,16,19,26H,15,17-18H2,1-3H3,(H,31,34)
• InChIKey: RZTATEKXVGEDHF-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.47
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide (CID 133258022) is 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide is Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C(Cc2ccccc2)C(=O)NC(C)C)cc1.

What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

The InChIKey is RZTATEKXVGEDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N2O3/c1-19(2)31-28(34)26(15-21-7-5-4-6-8-21)32(17-22-11-12-23(29)16-25(22)30)27(33)18-35-24-13-9-20(3)10-14-24/h4-14,16,19,26H,15,17-18H2,1-3H3,(H,31,34).

What are the key properties of 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide?

2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 513.47 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 133258022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).