N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide

C34H25Cl2N3O4 — CID 124558554

About N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 124558554) has the molecular formula C34H25Cl2N3O4 and a molecular weight of 610.50 g/mol. Its IUPAC name is N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 124558554
• Molecular Formula: C34H25Cl2N3O4
• Molecular Weight: 610.50 g/mol
• Exact Mass: 609.12
• IUPAC Name: N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1
• InChI: InChI=1S/C34H25Cl2N3O4/c1-43-21-13-10-19(11-14-21)16-28(40)38-37-18-34-24-8-4-2-6-22(24)29(23-7-3-5-9-25(23)34)30-31(34)33(42)39(32(30)41)27-15-12-20(35)17-26(27)36/h2-15,17-18,29-31H,16H2,1H3,(H,38,40)/b37-18-/t29?,30-,31+,34?/m1/s1
• InChIKey: YWIZEEOWLIPFBX-LZFUYDBOSA-N
• XLogP: 5.90
• TPSA: 88.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.50
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 124558554) is N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C\C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc(Cl)cc4Cl)C(=O)[C@H]23)cc1.

What is the InChIKey of N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide?

The InChIKey is YWIZEEOWLIPFBX-LZFUYDBOSA-N. The full InChI is InChI=1S/C34H25Cl2N3O4/c1-43-21-13-10-19(11-14-21)16-28(40)38-37-18-34-24-8-4-2-6-22(24)29(23-7-3-5-9-25(23)34)30-31(34)33(42)39(32(30)41)27-15-12-20(35)17-26(27)36/h2-15,17-18,29-31H,16H2,1H3,(H,38,40)/b37-18-/t29?,30-,31+,34?/m1/s1.

What are the key properties of N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide?

N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 610.50 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[(15R,19R)-17-(2,4-dichlorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 124558554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).