N-(7-oxobenzo[e]perimidin-8-yl)benzamide

C22H13N3O2 — CID 21235686

IUPACN-(7-oxobenzo[e]perimidin-8-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)c1cccc3ncnc-2c13)c1ccccc1
InChIInChI=1S/C22H13N3O2/c26-21-15-9-5-10-16-18(15)20(24-12-23-16)14-8-4-11-17(19(14)21)25-22(27)13-6-2-1-3-7-13/h1-12H,(H,25,27)
InChIKeyKPPUETXIYGIZIE-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.09
Rot. Bonds2

About N-(7-oxobenzo[e]perimidin-8-yl)benzamide

N-(7-oxobenzo[e]perimidin-8-yl)benzamide (PubChem CID 21235686) has the molecular formula C22H13N3O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(7-oxobenzo[e]perimidin-8-yl)benzamide.

Molecular Properties

Compound NameN-(7-oxobenzo[e]perimidin-8-yl)benzamide
PubChem CID21235686
Molecular FormulaC22H13N3O2
Molecular Weight351.37 g/mol
Exact Mass351.10
IUPAC NameN-(7-oxobenzo[e]perimidin-8-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)c1cccc3ncnc-2c13)c1ccccc1
InChIInChI=1S/C22H13N3O2/c26-21-15-9-5-10-16-18(15)20(24-12-23-16)14-8-4-11-17(19(14)21)25-22(27)13-6-2-1-3-7-13/h1-12H,(H,25,27)
InChIKeyKPPUETXIYGIZIE-UHFFFAOYSA-N
XLogP4.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
CID 19828301
methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390
N-(3-benzamidophenazin-2-yl)benzamide
CID 3547793
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
CID 10962330
N-(5,9-dibenzamidotriphenylen-1-yl)benzamide
CID 141408236
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
CID 176542149
N-(9,10-dioxoanthracen-1-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792798
N-(3-oxoinden-4-yl)benzamide
CID 67095227
N-[2-(methylamino)phenyl]benzamide
CID 101444547
N-(8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9,11,13(16)-heptaen-10-yl)pyridine-3-carboxamide
CID 86209041

Frequently Asked Questions

What is the IUPAC name of N-(7-oxobenzo[e]perimidin-8-yl)benzamide?
The IUPAC name of N-(7-oxobenzo[e]perimidin-8-yl)benzamide (CID 21235686) is N-(7-oxobenzo[e]perimidin-8-yl)benzamide.
What is the SMILES notation for N-(7-oxobenzo[e]perimidin-8-yl)benzamide?
The canonical SMILES for N-(7-oxobenzo[e]perimidin-8-yl)benzamide is O=C(Nc1cccc2c1C(=O)c1cccc3ncnc-2c13)c1ccccc1.
What is the InChIKey of N-(7-oxobenzo[e]perimidin-8-yl)benzamide?
The InChIKey is KPPUETXIYGIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O2/c26-21-15-9-5-10-16-18(15)20(24-12-23-16)14-8-4-11-17(19(14)21)25-22(27)13-6-2-1-3-7-13/h1-12H,(H,25,27).
What are the key properties of N-(7-oxobenzo[e]perimidin-8-yl)benzamide?
N-(7-oxobenzo[e]perimidin-8-yl)benzamide has a molecular weight of 351.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxobenzo[e]perimidin-8-yl)benzamide is sourced from PubChem (CID 21235686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).