5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide

C23H28Cl2N4O2 — CID 42751563

About 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide

5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide (PubChem CID 42751563) has the molecular formula C23H28Cl2N4O2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
• PubChem CID: 42751563
• Molecular Formula: C23H28Cl2N4O2
• Molecular Weight: 463.41 g/mol
• Exact Mass: 462.16
• IUPAC Name: 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
• SMILES: CC1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2C(=O)NC(C)C)CC1
• InChI: InChI=1S/C23H28Cl2N4O2/c1-14(2)26-22(30)18-13-17(5-7-21(18)29-10-8-15(3)9-11-29)27-23(31)28-20-6-4-16(24)12-19(20)25/h4-7,12-15H,8-11H2,1-3H3,(H,26,30)(H2,27,28,31)
• InChIKey: QTASCNLWVZWVBM-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 73.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.41
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?

The IUPAC name of 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide (CID 42751563) is 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide.

What is the SMILES notation for 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?

The canonical SMILES for 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide is CC1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2C(=O)NC(C)C)CC1.

What is the InChIKey of 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?

The InChIKey is QTASCNLWVZWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N4O2/c1-14(2)26-22(30)18-13-17(5-7-21(18)29-10-8-15(3)9-11-29)27-23(31)28-20-6-4-16(24)12-19(20)25/h4-7,12-15H,8-11H2,1-3H3,(H,26,30)(H2,27,28,31).

What are the key properties of 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide?

5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 463.41 g/mol, XLogP of 6.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 42751563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).