5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide

C26H35Cl2N5O2 — CID 42757410

About 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide

5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 42757410) has the molecular formula C26H35Cl2N5O2 and a molecular weight of 520.51 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

• Compound Name: 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide
• PubChem CID: 42757410
• Molecular Formula: C26H35Cl2N5O2
• Molecular Weight: 520.51 g/mol
• Exact Mass: 519.22
• IUPAC Name: 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide
• SMILES: CCN(CC)CCNC(=O)c1cc(NC(=O)Nc2c(Cl)cccc2Cl)ccc1N1CCC(C)CC1
• InChI: InChI=1S/C26H35Cl2N5O2/c1-4-32(5-2)16-13-29-25(34)20-17-19(9-10-23(20)33-14-11-18(3)12-15-33)30-26(35)31-24-21(27)7-6-8-22(24)28/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,29,34)(H2,30,31,35)
• InChIKey: QGVLIKIVGCQSRG-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 76.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.51
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide?

The IUPAC name of 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide (CID 42757410) is 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide.

What is the SMILES notation for 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide?

The canonical SMILES for 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide is CCN(CC)CCNC(=O)c1cc(NC(=O)Nc2c(Cl)cccc2Cl)ccc1N1CCC(C)CC1.

What is the InChIKey of 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide?

The InChIKey is QGVLIKIVGCQSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2N5O2/c1-4-32(5-2)16-13-29-25(34)20-17-19(9-10-23(20)33-14-11-18(3)12-15-33)30-26(35)31-24-21(27)7-6-8-22(24)28/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,29,34)(H2,30,31,35).

What are the key properties of 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide?

5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 520.51 g/mol, XLogP of 5.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 42757410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).