N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

C28H27Cl2N3O3 — CID 42707474

About N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 42707474) has the molecular formula C28H27Cl2N3O3 and a molecular weight of 524.45 g/mol. Its IUPAC name is N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
• PubChem CID: 42707474
• Molecular Formula: C28H27Cl2N3O3
• Molecular Weight: 524.45 g/mol
• Exact Mass: 523.14
• IUPAC Name: N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
• SMILES: CC1CN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C28H27Cl2N3O3/c1-19-18-32(14-15-33(19)27(35)23-13-12-22(29)17-24(23)30)28(36)25(16-20-8-4-2-5-9-20)31-26(34)21-10-6-3-7-11-21/h2-13,17,19,25H,14-16,18H2,1H3,(H,31,34)
• InChIKey: WWOQEBWGQQJJRZ-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.45
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?

The IUPAC name of N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 42707474) is N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

What is the SMILES notation for N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?

The canonical SMILES for N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is CC1CN(C(=O)C(Cc2ccccc2)NC(=O)c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl.

What is the InChIKey of N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?

The InChIKey is WWOQEBWGQQJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O3/c1-19-18-32(14-15-33(19)27(35)23-13-12-22(29)17-24(23)30)28(36)25(16-20-8-4-2-5-9-20)31-26(34)21-10-6-3-7-11-21/h2-13,17,19,25H,14-16,18H2,1H3,(H,31,34).

What are the key properties of N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?

N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 524.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 42707474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).