4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide

C23H19NO5 — CID 10620370

IUPAC4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1
InChIInChI=1S/C23H19NO5/c1-24(29)23(28)14-7-5-13(6-8-14)11-17-10-9-16-12-15-3-2-4-18(25)19(15)22(27)20(16)21(17)26/h2-10,25-26,29H,11-12H2,1H3
InChIKeyGDBIGAAPRSURQX-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.29
Rot. Bonds3

About 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide

4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide (PubChem CID 10620370) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide
PubChem CID10620370
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1
InChIInChI=1S/C23H19NO5/c1-24(29)23(28)14-7-5-13(6-8-14)11-17-10-9-16-12-15-3-2-4-18(25)19(15)22(27)20(16)21(17)26/h2-10,25-26,29H,11-12H2,1H3
InChIKeyGDBIGAAPRSURQX-UHFFFAOYSA-N
XLogP3.29
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide?
The IUPAC name of 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide (CID 10620370) is 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide is CN(O)C(=O)c1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1.
What is the InChIKey of 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide?
The InChIKey is GDBIGAAPRSURQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-24(29)23(28)14-7-5-13(6-8-14)11-17-10-9-16-12-15-3-2-4-18(25)19(15)22(27)20(16)21(17)26/h2-10,25-26,29H,11-12H2,1H3.
What are the key properties of 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide?
4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide has a molecular weight of 389.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)methyl]-N-hydroxy-N-methylbenzamide is sourced from PubChem (CID 10620370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).