5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide

C22H19N3O2 — CID 57072576

IUPAC5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2CC(=NOCc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19N3O2/c23-22(26)25-20-12-6-4-10-17(20)14-19(18-11-5-7-13-21(18)25)24-27-15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,23,26)
InChIKeyDWNZBJPWAUCBNM-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.38
Rot. Bonds3

About 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide

5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide (PubChem CID 57072576) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide
PubChem CID57072576
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2CC(=NOCc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19N3O2/c23-22(26)25-20-12-6-4-10-17(20)14-19(18-11-5-7-13-21(18)25)24-27-15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,23,26)
InChIKeyDWNZBJPWAUCBNM-UHFFFAOYSA-N
XLogP4.38
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide (CID 57072576) is 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2ccccc2CC(=NOCc2ccccc2)c2ccccc21.
What is the InChIKey of 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide?
The InChIKey is DWNZBJPWAUCBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-22(26)25-20-12-6-4-10-17(20)14-19(18-11-5-7-13-21(18)25)24-27-15-16-8-2-1-3-9-16/h1-13H,14-15H2,(H2,23,26).
What are the key properties of 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide?
5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxyimino-6H-benzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 57072576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).