N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide

C22H16N2O3 — CID 1214722

IUPACN-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1
InChIInChI=1S/C22H16N2O3/c1-14(25)23-15-10-12-16(13-11-15)24-21(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(24)27/h2-13H,1H3,(H,23,25)
InChIKeyGELVRKIRAGHSMD-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.46
Rot. Bonds2

About N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide

N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide (PubChem CID 1214722) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide
PubChem CID1214722
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC NameN-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1
InChIInChI=1S/C22H16N2O3/c1-14(25)23-15-10-12-16(13-11-15)24-21(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(24)27/h2-13H,1H3,(H,23,25)
InChIKeyGELVRKIRAGHSMD-UHFFFAOYSA-N
XLogP3.46
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide (CID 1214722) is N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide?
The InChIKey is GELVRKIRAGHSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-14(25)23-15-10-12-16(13-11-15)24-21(26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)22(24)27/h2-13H,1H3,(H,23,25).
What are the key properties of N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide?
N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,7-dioxobenzo[d][2]benzazepin-6-yl)phenyl]acetamide is sourced from PubChem (CID 1214722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).