5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

C15H14N2O — CID 19099

IUPAC5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)
InChIKeyPHNLCHMJDSSPDQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.00
Rot. Bonds

About 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (PubChem CID 19099) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
PubChem CID19099
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)
InChIKeyPHNLCHMJDSSPDQ-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (CID 19099) is 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is PHNLCHMJDSSPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18).
What are the key properties of 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 19099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).