N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide

C28H16Cl2N2O4 — CID 10962330

IUPACN-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1Cl)C(=O)c1ccc(NC(=O)c3ccccc3)c(Cl)c1C2=O)c1ccccc1
InChIInChI=1S/C28H16Cl2N2O4/c29-23-19(31-27(35)15-7-3-1-4-8-15)13-11-17-21(23)25(33)18-12-14-20(24(30)22(18)26(17)34)32-28(36)16-9-5-2-6-10-16/h1-14H,(H,31,35)(H,32,36)
InChIKeyDCGQODXGWSADBF-UHFFFAOYSA-N
MW515.35 g/mol
LogP6.27
Rot. Bonds4

About N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide

N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide (PubChem CID 10962330) has the molecular formula C28H16Cl2N2O4 and a molecular weight of 515.35 g/mol. Its IUPAC name is N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
PubChem CID10962330
Molecular FormulaC28H16Cl2N2O4
Molecular Weight515.35 g/mol
Exact Mass514.05
IUPAC NameN-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1Cl)C(=O)c1ccc(NC(=O)c3ccccc3)c(Cl)c1C2=O)c1ccccc1
InChIInChI=1S/C28H16Cl2N2O4/c29-23-19(31-27(35)15-7-3-1-4-8-15)13-11-17-21(23)25(33)18-12-14-20(24(30)22(18)26(17)34)32-28(36)16-9-5-2-6-10-16/h1-14H,(H,31,35)(H,32,36)
InChIKeyDCGQODXGWSADBF-UHFFFAOYSA-N
XLogP6.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.35
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide
CID 56695964
N-(1,3-dioxo-7-phenylinden-4-yl)benzamide
CID 161402375
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
CID 19828301
N-(2-benzoyl-6-chloro-3-pyridinyl)benzamide
CID 21448723
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
2-benzamido-4-[(E)-2-(3,5-dichlorophenyl)ethenyl]benzoic acid
CID 69093707
N-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]benzamide
CID 21486214
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
N-(2-amino-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749364
N-(4-amino-6-chloro-9,10-dioxoanthracen-1-yl)-4-chlorobenzamide
CID 163650407

Frequently Asked Questions

What is the IUPAC name of N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide?
The IUPAC name of N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide (CID 10962330) is N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide.
What is the SMILES notation for N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide?
The canonical SMILES for N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide is O=C(Nc1ccc2c(c1Cl)C(=O)c1ccc(NC(=O)c3ccccc3)c(Cl)c1C2=O)c1ccccc1.
What is the InChIKey of N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide?
The InChIKey is DCGQODXGWSADBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Cl2N2O4/c29-23-19(31-27(35)15-7-3-1-4-8-15)13-11-17-21(23)25(33)18-12-14-20(24(30)22(18)26(17)34)32-28(36)16-9-5-2-6-10-16/h1-14H,(H,31,35)(H,32,36).
What are the key properties of N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide?
N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide has a molecular weight of 515.35 g/mol, XLogP of 6.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide is sourced from PubChem (CID 10962330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).