benzo[b][1]benzazepine-11-carboxamide

C15H12N2O — CID 2554

💊View drug profile → carbamazepine
IUPACbenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChIKeyFFGPTBGBLSHEPO-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.39
Rot. Bonds

About benzo[b][1]benzazepine-11-carboxamide

benzo[b][1]benzazepine-11-carboxamide (PubChem CID 2554) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is benzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Namebenzo[b][1]benzazepine-11-carboxamide
PubChem CID2554
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Namebenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChIKeyFFGPTBGBLSHEPO-UHFFFAOYSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dibenz(b,f)azepine
CID 9212
N-(4-Methylphenyl)urea
CID 12148
1,1-Diphenylurea
CID 33603
1-Naphthylurea
CID 81387
1-Phenyl-3-(3-(trifluoromethyl)phenyl)urea
CID 265996
1-Benzyl-1-methyl-3-phenylurea
CID 306455
N-(3-Methylphenyl)urea
CID 6142
10,11-Dihydrocarbamazepine
CID 19099
o-Tolylurea
CID 69198
N,N'-Di-(m-trifluoromethylphenyl)urea
CID 136250
o-Ditolylurea
CID 69232
10,11-Dihydro-dibenzo[b,f]azepine-5-carboxylic acid methylamide
CID 738916

Frequently Asked Questions

What is the IUPAC name of benzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of benzo[b][1]benzazepine-11-carboxamide (CID 2554) is benzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for benzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for benzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of benzo[b][1]benzazepine-11-carboxamide?
The InChIKey is FFGPTBGBLSHEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18).
What are the key properties of benzo[b][1]benzazepine-11-carboxamide?
benzo[b][1]benzazepine-11-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 2554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).