N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide

C21H16N2O5 — CID 166501803

IUPACN-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3cccc4c(CO)ccc(c34)C2=O)cc1
InChIInChI=1S/C21H16N2O5/c24-11-14-8-9-17-18-15(14)2-1-3-16(18)20(26)23(21(17)27)10-12-4-6-13(7-5-12)19(25)22-28/h1-9,24,28H,10-11H2,(H,22,25)
InChIKeyBFLSIVBBCMMYCX-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.25
Rot. Bonds4

About N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide

N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide (PubChem CID 166501803) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide
PubChem CID166501803
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3cccc4c(CO)ccc(c34)C2=O)cc1
InChIInChI=1S/C21H16N2O5/c24-11-14-8-9-17-18-15(14)2-1-3-16(18)20(26)23(21(17)27)10-12-4-6-13(7-5-12)19(25)22-28/h1-9,24,28H,10-11H2,(H,22,25)
InChIKeyBFLSIVBBCMMYCX-UHFFFAOYSA-N
XLogP2.25
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.25
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-[[4-(hydroxymethyl)phenyl]methyl]benzo[de]isoquinoline-1,3-dione
CID 175160869
4-[(6-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
CID 126607991
6-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155194845
4-[(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoic acid
CID 2924867
tert-butyl 4-[(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzoate
CID 90179814
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
N-(2-aminophenyl)-4-[(1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
CID 139951393
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-3-ylmethyl)benzamide
CID 55838537
4-[(5-amino-2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669332
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 32700452

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide (CID 166501803) is N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide is O=C(NO)c1ccc(CN2C(=O)c3cccc4c(CO)ccc(c34)C2=O)cc1.
What is the InChIKey of N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide?
The InChIKey is BFLSIVBBCMMYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c24-11-14-8-9-17-18-15(14)2-1-3-16(18)20(26)23(21(17)27)10-12-4-6-13(7-5-12)19(25)22-28/h1-9,24,28H,10-11H2,(H,22,25).
What are the key properties of N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide?
N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide has a molecular weight of 376.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[6-(hydroxymethyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]methyl]benzamide is sourced from PubChem (CID 166501803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).