3-bromobenzo[b][1]benzazepine-11-carboxamide

C15H11BrN2O — CID 71449990

IUPAC3-bromobenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C=Cc2cc(Br)ccc21
InChIInChI=1S/C15H11BrN2O/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)18(14)15(17)19/h1-9H,(H2,17,19)
InChIKeyFBJBWHPVKPHRLX-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.15
Rot. Bonds

About 3-bromobenzo[b][1]benzazepine-11-carboxamide

3-bromobenzo[b][1]benzazepine-11-carboxamide (PubChem CID 71449990) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-bromobenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name3-bromobenzo[b][1]benzazepine-11-carboxamide
PubChem CID71449990
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-bromobenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C=Cc2cc(Br)ccc21
InChIInChI=1S/C15H11BrN2O/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)18(14)15(17)19/h1-9H,(H2,17,19)
InChIKeyFBJBWHPVKPHRLX-UHFFFAOYSA-N
XLogP4.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromobenzo[b][1]benzazepine-11-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromobenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 3-bromobenzo[b][1]benzazepine-11-carboxamide (CID 71449990) is 3-bromobenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 3-bromobenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 3-bromobenzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2ccccc2C=Cc2cc(Br)ccc21.
What is the InChIKey of 3-bromobenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is FBJBWHPVKPHRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)18(14)15(17)19/h1-9H,(H2,17,19).
What are the key properties of 3-bromobenzo[b][1]benzazepine-11-carboxamide?
3-bromobenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromobenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 71449990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).