N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide

C20H15NO3 — CID 91256842

IUPACN-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide
SMILESCC(=O)N(O)c1ccc2c3c(ccc2c1)Cc1ccccc1C3=O
InChIInChI=1S/C20H15NO3/c1-12(22)21(24)16-8-9-17-14(11-16)6-7-15-10-13-4-2-3-5-18(13)20(23)19(15)17/h2-9,11,24H,10H2,1H3
InChIKeyVOCVJTDNPZLSEU-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.72
Rot. Bonds1

About N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide

N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide (PubChem CID 91256842) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide.

Molecular Properties

Compound NameN-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide
PubChem CID91256842
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC NameN-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide
SMILESCC(=O)N(O)c1ccc2c3c(ccc2c1)Cc1ccccc1C3=O
InChIInChI=1S/C20H15NO3/c1-12(22)21(24)16-8-9-17-14(11-16)6-7-15-10-13-4-2-3-5-18(13)20(23)19(15)17/h2-9,11,24H,10H2,1H3
InChIKeyVOCVJTDNPZLSEU-UHFFFAOYSA-N
XLogP3.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(12-oxo-7H-benzo[a]anthracen-3-yl)oxy]benzenesulfonyl chloride
CID 18463957
bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)
CID 26867
N-(9H-fluoren-2-yl)-N-iodoacetamide
CID 57058849
10H-anthracen-9-one;ethane;methanol
CID 90976205
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
ethyl 3-methyl-2-oxido-12-oxo-7H-naphtho[2,3-h]isoquinolin-2-ium-1-carboxylate
CID 22149959
5-[(12-oxo-7H-benzo[a]anthracen-5-yl)diazenyl]-7H-benzo[a]anthracen-12-one
CID 87529385
acetic acid;azane;9H-fluorene
CID 174966259
5H-anthra[1,2-c]diazet-10-one
CID 175765488
10H-anthracen-9-one;fluoren-9-one
CID 67642372
1,2-diphenoxy-10H-anthracen-9-one
CID 23283730
3-ethyl-1-hydroxy-10H-anthracen-9-one
CID 58923362

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide?
The IUPAC name of N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide (CID 91256842) is N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide.
What is the SMILES notation for N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide?
The canonical SMILES for N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide is CC(=O)N(O)c1ccc2c3c(ccc2c1)Cc1ccccc1C3=O.
What is the InChIKey of N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide?
The InChIKey is VOCVJTDNPZLSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c1-12(22)21(24)16-8-9-17-14(11-16)6-7-15-10-13-4-2-3-5-18(13)20(23)19(15)17/h2-9,11,24H,10H2,1H3.
What are the key properties of N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide?
N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide has a molecular weight of 317.34 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide is sourced from PubChem (CID 91256842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).