N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide

C23H17NO5 — CID 7533072

IUPACN-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1OC
InChIInChI=1S/C23H17NO5/c1-28-19-9-5-8-17(22(19)29-2)23(27)24-13-10-11-16-18(12-13)21(26)15-7-4-3-6-14(15)20(16)25/h3-12H,1-2H3,(H,24,27)
InChIKeyXQXGYTYPHPOECC-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.73
Rot. Bonds4

About N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide

N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide (PubChem CID 7533072) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
PubChem CID7533072
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1OC
InChIInChI=1S/C23H17NO5/c1-28-19-9-5-8-17(22(19)29-2)23(27)24-13-10-11-16-18(12-13)21(26)15-7-4-3-6-14(15)20(16)25/h3-12H,1-2H3,(H,24,27)
InChIKeyXQXGYTYPHPOECC-UHFFFAOYSA-N
XLogP3.73
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524778
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3737326
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide
CID 22776594
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
2-[4-[(2,3-dimethoxybenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253872

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide (CID 7533072) is N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1OC.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide?
The InChIKey is XQXGYTYPHPOECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5/c1-28-19-9-5-8-17(22(19)29-2)23(27)24-13-10-11-16-18(12-13)21(26)15-7-4-3-6-14(15)20(16)25/h3-12H,1-2H3,(H,24,27).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide?
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide has a molecular weight of 387.39 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 7533072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).