N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide

C22H20N2O — CID 3694017

IUPACN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(16-17-8-2-1-3-9-17)23-24-20-12-6-4-10-18(20)14-15-19-11-5-7-13-21(19)24/h1-13H,14-16H2,(H,23,25)
InChIKeyBZLDEDLFQLFKFH-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.20
Rot. Bonds3

About N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide

N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide (PubChem CID 3694017) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide
PubChem CID3694017
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(16-17-8-2-1-3-9-17)23-24-20-12-6-4-10-18(20)14-15-19-11-5-7-13-21(19)24/h1-13H,14-16H2,(H,23,25)
InChIKeyBZLDEDLFQLFKFH-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide?
The IUPAC name of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide (CID 3694017) is N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide?
The canonical SMILES for N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide is O=C(Cc1ccccc1)NN1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide?
The InChIKey is BZLDEDLFQLFKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(16-17-8-2-1-3-9-17)23-24-20-12-6-4-10-18(20)14-15-19-11-5-7-13-21(19)24/h1-13H,14-16H2,(H,23,25).
What are the key properties of N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide?
N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide has a molecular weight of 328.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-phenylacetamide is sourced from PubChem (CID 3694017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).