2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide

C16H16N2O — CID 52862501

IUPAC2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
SMILESNC(=O)CN1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C16H16N2O/c17-16(19)11-18-9-12-5-1-3-7-14(12)15-8-4-2-6-13(15)10-18/h1-8H,9-11H2,(H2,17,19)
InChIKeyPPEZZCATFMDVLF-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.15
Rot. Bonds2

About 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide

2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide (PubChem CID 52862501) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide.

Molecular Properties

Compound Name2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
PubChem CID52862501
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
SMILESNC(=O)CN1Cc2ccccc2-c2ccccc2C1
InChIInChI=1S/C16H16N2O/c17-16(19)11-18-9-12-5-1-3-7-14(12)15-8-4-2-6-13(15)10-18/h1-8H,9-11H2,(H2,17,19)
InChIKeyPPEZZCATFMDVLF-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide?
The IUPAC name of 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide (CID 52862501) is 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide.
What is the SMILES notation for 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide?
The canonical SMILES for 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide is NC(=O)CN1Cc2ccccc2-c2ccccc2C1.
What is the InChIKey of 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide?
The InChIKey is PPEZZCATFMDVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16(19)11-18-9-12-5-1-3-7-14(12)15-8-4-2-6-13(15)10-18/h1-8H,9-11H2,(H2,17,19).
What are the key properties of 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide?
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide is sourced from PubChem (CID 52862501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).