4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride

C21H25Cl2N3O2 — CID 119578681

About 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride

4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride (PubChem CID 119578681) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
• PubChem CID: 119578681
• Molecular Formula: C21H25Cl2N3O2
• Molecular Weight: 422.36 g/mol
• Exact Mass: 421.13
• IUPAC Name: 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
• SMILES: CC1CN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CCN1.Cl
• InChI: InChI=1S/C21H24ClN3O2.ClH/c1-15-14-25(12-11-23-15)21(27)19(13-16-5-3-2-4-6-16)24-20(26)17-7-9-18(22)10-8-17;/h2-10,15,19,23H,11-14H2,1H3,(H,24,26);1H
• InChIKey: GRTSBWTUSBOBGI-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.36
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride (CID 119578681) is 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride.

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

The canonical SMILES for 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride is CC1CN(C(=O)C(Cc2ccccc2)NC(=O)c2ccc(Cl)cc2)CCN1.Cl.

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

The InChIKey is GRTSBWTUSBOBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2.ClH/c1-15-14-25(12-11-23-15)21(27)19(13-16-5-3-2-4-6-16)24-20(26)17-7-9-18(22)10-8-17;/h2-10,15,19,23H,11-14H2,1H3,(H,24,26);1H.

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

4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride has a molecular weight of 422.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119578681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).