N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide

C25H18N2O3 — CID 12004644

IUPACN-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide
SMILESO=C(NN1C(=O)C2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1
InChIInChI=1S/C25H18N2O3/c28-23(14-8-2-1-3-9-14)26-27-24(29)21-19-15-10-4-5-11-16(15)20(22(21)25(27)30)18-13-7-6-12-17(18)19/h1-13,19-22H,(H,26,28)/t19?,20?,21-,22?/m0/s1
InChIKeyOWMNRTGDIQUYRP-GMONCZTGSA-N
MW394.43 g/mol
LogP3.22
Rot. Bonds2

About N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide

N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide (PubChem CID 12004644) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide.

Molecular Properties

Compound NameN-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide
PubChem CID12004644
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC NameN-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide
SMILESO=C(NN1C(=O)C2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1
InChIInChI=1S/C25H18N2O3/c28-23(14-8-2-1-3-9-14)26-27-24(29)21-19-15-10-4-5-11-16(15)20(22(21)25(27)30)18-13-7-6-12-17(18)19/h1-13,19-22H,(H,26,28)/t19?,20?,21-,22?/m0/s1
InChIKeyOWMNRTGDIQUYRP-GMONCZTGSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide?
The IUPAC name of N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide (CID 12004644) is N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide.
What is the SMILES notation for N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide?
The canonical SMILES for N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide is O=C(NN1C(=O)C2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccccc1.
What is the InChIKey of N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide?
The InChIKey is OWMNRTGDIQUYRP-GMONCZTGSA-N. The full InChI is InChI=1S/C25H18N2O3/c28-23(14-8-2-1-3-9-14)26-27-24(29)21-19-15-10-4-5-11-16(15)20(22(21)25(27)30)18-13-7-6-12-17(18)19/h1-13,19-22H,(H,26,28)/t19?,20?,21-,22?/m0/s1.
What are the key properties of N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide?
N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide is sourced from PubChem (CID 12004644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).