N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide

C26H23ClN4O6 — CID 118731963

About N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide

N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide (PubChem CID 118731963) has the molecular formula C26H23ClN4O6 and a molecular weight of 522.95 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide.

Molecular Properties

• Compound Name: N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide
• PubChem CID: 118731963
• Molecular Formula: C26H23ClN4O6
• Molecular Weight: 522.95 g/mol
• Exact Mass: 522.13
• IUPAC Name: N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide
• SMILES: COc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)c(C(=O)Nc2ccc(N3CCOCC3=O)cc2)c1
• InChI: InChI=1S/C26H23ClN4O6/c1-36-18-10-11-21(29-25(34)26(35)30-22-5-3-2-4-20(22)27)19(14-18)24(33)28-16-6-8-17(9-7-16)31-12-13-37-15-23(31)32/h2-11,14H,12-13,15H2,1H3,(H,28,33)(H,29,34)(H,30,35)
• InChIKey: DBTJJCVRJNGSRK-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.95
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide?

The IUPAC name of N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide (CID 118731963) is N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide.

What is the SMILES notation for N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide?

The canonical SMILES for N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide is COc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)c(C(=O)Nc2ccc(N3CCOCC3=O)cc2)c1.

What is the InChIKey of N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide?

The InChIKey is DBTJJCVRJNGSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O6/c1-36-18-10-11-21(29-25(34)26(35)30-22-5-3-2-4-20(22)27)19(14-18)24(33)28-16-6-8-17(9-7-16)31-12-13-37-15-23(31)32/h2-11,14H,12-13,15H2,1H3,(H,28,33)(H,29,34)(H,30,35).

What are the key properties of N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide?

N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide has a molecular weight of 522.95 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-chlorophenyl)-N-[4-methoxy-2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]oxamide is sourced from PubChem (CID 118731963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).