N-hydroxy-3-methylbenzamide

C8H9NO2 — CID 4288771

IUPACN-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NO)c1
InChIInChI=1S/C8H9NO2/c1-6-3-2-4-7(5-6)8(10)9-11/h2-5,11H,1H3,(H,9,10)
InChIKeyHMIQPPRQWABYPJ-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.11
Rot. Bonds1

About N-hydroxy-3-methylbenzamide

N-hydroxy-3-methylbenzamide (PubChem CID 4288771) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is N-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-hydroxy-3-methylbenzamide
PubChem CID4288771
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC NameN-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NO)c1
InChIInChI=1S/C8H9NO2/c1-6-3-2-4-7(5-6)8(10)9-11/h2-5,11H,1H3,(H,9,10)
InChIKeyHMIQPPRQWABYPJ-UHFFFAOYSA-N
XLogP1.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methylbenzamide?
The IUPAC name of N-hydroxy-3-methylbenzamide (CID 4288771) is N-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-hydroxy-3-methylbenzamide?
The canonical SMILES for N-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NO)c1.
What is the InChIKey of N-hydroxy-3-methylbenzamide?
The InChIKey is HMIQPPRQWABYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-3-2-4-7(5-6)8(10)9-11/h2-5,11H,1H3,(H,9,10).
What are the key properties of N-hydroxy-3-methylbenzamide?
N-hydroxy-3-methylbenzamide has a molecular weight of 151.16 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methylbenzamide is sourced from PubChem (CID 4288771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).