N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide

C21H12ClNO3 — CID 8325

IUPACN-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O)c1ccccc1
InChIInChI=1S/C21H12ClNO3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,(H,23,26)
InChIKeyVDCUNNJIPITONP-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.37
Rot. Bonds2

About N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide

N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide (PubChem CID 8325) has the molecular formula C21H12ClNO3 and a molecular weight of 361.78 g/mol. Its IUPAC name is N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide
PubChem CID8325
Molecular FormulaC21H12ClNO3
Molecular Weight361.78 g/mol
Exact Mass361.05
IUPAC NameN-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide
SMILESO=C(Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O)c1ccccc1
InChIInChI=1S/C21H12ClNO3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,(H,23,26)
InChIKeyVDCUNNJIPITONP-UHFFFAOYSA-N
XLogP4.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-5-chloroanthraquinone
CID 8327
1-Amino-4-chloro-9,10-anthracenedione
CID 17884
Chlorobenzone
CID 6679
Anthrimide
CID 6700
Corinth flour
CID 66479
Vat Yellow 3
CID 65738
Benzamide, N-(1-naphthyl)-2-chloro-
CID 531848
N-(2-Benzoyl-4-chlorophenyl)-2-chlorobenzamide
CID 2807150
2,4-Dichloro-N-(1-naphthyl)-benzamide
CID 307021
N,N'-(9,10-Dihydro-9,10-dioxoanthracene-1,4-diyl)bisbenzamide
CID 72731
Solvent Blue 68
CID 20419
2-chloro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 11638464

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide?
The IUPAC name of N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide (CID 8325) is N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide.
What is the SMILES notation for N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide?
The canonical SMILES for N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide is O=C(Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O)c1ccccc1.
What is the InChIKey of N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide?
The InChIKey is VDCUNNJIPITONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClNO3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,(H,23,26).
What are the key properties of N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide?
N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide has a molecular weight of 361.78 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide is sourced from PubChem (CID 8325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).