4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide

C13H10ClN5O2 — CID 177371892

IUPAC4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2cnc3c(Cl)ncnc32)cc1
InChIInChI=1S/C13H10ClN5O2/c14-11-10-12(16-6-15-11)19(7-17-10)5-8-1-3-9(4-2-8)13(20)18-21/h1-4,6-7,21H,5H2,(H,18,20)
InChIKeyDOXPMOKGKQFETN-UHFFFAOYSA-N
MW303.71 g/mol
LogP1.65
Rot. Bonds3

About 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide

4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide (PubChem CID 177371892) has the molecular formula C13H10ClN5O2 and a molecular weight of 303.71 g/mol. Its IUPAC name is 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide
PubChem CID177371892
Molecular FormulaC13H10ClN5O2
Molecular Weight303.71 g/mol
Exact Mass303.05
IUPAC Name4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Cn2cnc3c(Cl)ncnc32)cc1
InChIInChI=1S/C13H10ClN5O2/c14-11-10-12(16-6-15-11)19(7-17-10)5-8-1-3-9(4-2-8)13(20)18-21/h1-4,6-7,21H,5H2,(H,18,20)
InChIKeyDOXPMOKGKQFETN-UHFFFAOYSA-N
XLogP1.65
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-chloro-N-[4-[(6-chloropurin-9-yl)methyl]phenyl]propanamide
CID 177373817
6-chloro-9-[(4-ethynylphenyl)methyl]purine
CID 166817447
3-[(6-chloropurin-9-yl)methyl]benzonitrile
CID 14022462
N-hydroxy-4-[(5-methylbenzimidazol-1-yl)methyl]benzamide
CID 71502389
N-hydroxy-4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)benzamide
CID 118437647
1-[4-(9-benzylpurin-6-yl)phenyl]ethanone
CID 15499185
N-hydroxy-3-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
CID 87265938
methyl (2S)-3-(6-chloropurin-9-yl)-2-(tritylamino)propanoate
CID 46702969
[4-[2-(6-chloropurin-9-yl)ethoxy]phenyl]phosphonic acid
CID 46844941
[4-[(6-aminopurin-9-yl)methyl]phenoxy]boronic acid
CID 169006248
9-[(4-methylphenyl)methyl]purin-6-amine
CID 30470362
N-[3-(6-chloropurin-9-yl)butanoyl]benzamide
CID 135001309

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide (CID 177371892) is 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(Cn2cnc3c(Cl)ncnc32)cc1.
What is the InChIKey of 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide?
The InChIKey is DOXPMOKGKQFETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O2/c14-11-10-12(16-6-15-11)19(7-17-10)5-8-1-3-9(4-2-8)13(20)18-21/h1-4,6-7,21H,5H2,(H,18,20).
What are the key properties of 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide?
4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide has a molecular weight of 303.71 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropurin-9-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 177371892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).