3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide

C35H24N2O3 — CID 7073499

About 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide

3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide (PubChem CID 7073499) has the molecular formula C35H24N2O3 and a molecular weight of 520.59 g/mol. Its IUPAC name is 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide.

Molecular Properties

• Compound Name: 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide
• PubChem CID: 7073499
• Molecular Formula: C35H24N2O3
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.18
• IUPAC Name: 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide
• SMILES: O=C(Nc1ccc2ccccc2c1)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1
• InChI: InChI=1S/C35H24N2O3/c38-33(36-23-17-16-20-8-1-2-9-21(20)18-23)22-10-7-11-24(19-22)37-34(39)31-29-25-12-3-4-13-26(25)30(32(31)35(37)40)28-15-6-5-14-27(28)29/h1-19,29-32H,(H,36,38)/t29?,30?,31-,32-/m1/s1
• InChIKey: UFAUHQVXVFIOOD-LYBMHKGZSA-N
• XLogP: 6.49
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide?

The IUPAC name of 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide (CID 7073499) is 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide.

What is the SMILES notation for 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide?

The canonical SMILES for 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide is O=C(Nc1ccc2ccccc2c1)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1.

What is the InChIKey of 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide?

The InChIKey is UFAUHQVXVFIOOD-LYBMHKGZSA-N. The full InChI is InChI=1S/C35H24N2O3/c38-33(36-23-17-16-20-8-1-2-9-21(20)18-23)22-10-7-11-24(19-22)37-34(39)31-29-25-12-3-4-13-26(25)30(32(31)35(37)40)28-15-6-5-14-27(28)29/h1-19,29-32H,(H,36,38)/t29?,30?,31-,32-/m1/s1.

What are the key properties of 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide?

3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide has a molecular weight of 520.59 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 7073499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).