(11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C24H26ClN3O3 — CID 92721356

About (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

(11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92721356) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92721356
• Molecular Formula: C24H26ClN3O3
• Molecular Weight: 439.94 g/mol
• Exact Mass: 439.17
• IUPAC Name: (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3occc32)C(=O)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C24H26ClN3O3/c1-24(23(30)26-17-6-4-2-3-5-7-17)15-27-19-12-13-31-21(19)14-20(27)22(29)28(24)18-10-8-16(25)9-11-18/h8-14,17H,2-7,15H2,1H3,(H,26,30)/t24-/m1/s1
• InChIKey: MSYNWXMUBSIHMU-XMMPIXPASA-N
• XLogP: 5.15
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.94
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92721356) is (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is C[C@]1(C(=O)NC2CCCCCC2)Cn2c(cc3occc32)C(=O)N1c1ccc(Cl)cc1.

What is the InChIKey of (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is MSYNWXMUBSIHMU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-24(23(30)26-17-6-4-2-3-5-7-17)15-27-19-12-13-31-21(19)14-20(27)22(29)28(24)18-10-8-16(25)9-11-18/h8-14,17H,2-7,15H2,1H3,(H,26,30)/t24-/m1/s1.

What are the key properties of (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

(11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 439.94 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-10-(4-chlorophenyl)-N-cycloheptyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92721356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).