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

C16H16N2O — CID 738916

IUPACN-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESCNC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H16N2O/c1-17-16(19)18-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyRBZYGXWEIAEBHN-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.26
Rot. Bonds

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

N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (PubChem CID 738916) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound NameN-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
PubChem CID738916
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESCNC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H16N2O/c1-17-16(19)18-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyRBZYGXWEIAEBHN-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (CID 738916) is N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is CNC(=O)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is RBZYGXWEIAEBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-17-16(19)18-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)18/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 738916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).