N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide

C28H18N2O4 — CID 2839734

IUPACN-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)c1c(NC(=O)c3ccccc3)cccc1C2=O)c1ccccc1
InChIInChI=1S/C28H18N2O4/c31-25-19-13-7-15-21(29-27(33)17-9-3-1-4-10-17)23(19)26(32)24-20(25)14-8-16-22(24)30-28(34)18-11-5-2-6-12-18/h1-16H,(H,29,33)(H,30,34)
InChIKeyMHIIKMFLEZGYPH-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.97
Rot. Bonds4

About N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide

N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide (PubChem CID 2839734) has the molecular formula C28H18N2O4 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide.

Molecular Properties

Compound NameN-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
PubChem CID2839734
Molecular FormulaC28H18N2O4
Molecular Weight446.46 g/mol
Exact Mass446.13
IUPAC NameN-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)c1c(NC(=O)c3ccccc3)cccc1C2=O)c1ccccc1
InChIInChI=1S/C28H18N2O4/c31-25-19-13-7-15-21(29-27(33)17-9-3-1-4-10-17)23(19)26(32)24-20(25)14-8-16-22(24)30-28(34)18-11-5-2-6-12-18/h1-16H,(H,29,33)(H,30,34)
InChIKeyMHIIKMFLEZGYPH-UHFFFAOYSA-N
XLogP4.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
CID 176542149
N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
CID 10962330
N-(7-oxobenzo[e]perimidin-8-yl)benzamide
CID 21235686
N-(3-oxoinden-4-yl)benzamide
CID 67095227
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide
CID 56695964
N-(5,8-dichloro-9,10-dioxoanthracen-1-yl)-4-nitrobenzamide
CID 3084759
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-(1,14-diazatetracyclo[12.4.0.02,7.08,13]octadeca-2,4,6,8,10,12,15,17-octaen-6-yl)benzamide
CID 91196792

Frequently Asked Questions

What is the IUPAC name of N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide?
The IUPAC name of N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide (CID 2839734) is N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide.
What is the SMILES notation for N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide?
The canonical SMILES for N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide is O=C(Nc1cccc2c1C(=O)c1c(NC(=O)c3ccccc3)cccc1C2=O)c1ccccc1.
What is the InChIKey of N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide?
The InChIKey is MHIIKMFLEZGYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O4/c31-25-19-13-7-15-21(29-27(33)17-9-3-1-4-10-17)23(19)26(32)24-20(25)14-8-16-22(24)30-28(34)18-11-5-2-6-12-18/h1-16H,(H,29,33)(H,30,34).
What are the key properties of N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide?
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide has a molecular weight of 446.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide is sourced from PubChem (CID 2839734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).