N-hydroxy-2-methyl-3-nitrobenzamide

C8H8N2O4 — CID 24690706

IUPACN-hydroxy-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NO)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c1-5-6(8(11)9-12)3-2-4-7(5)10(13)14/h2-4,12H,1H3,(H,9,11)
InChIKeyDVNIVNVBQROBIC-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.02
Rot. Bonds2

About N-hydroxy-2-methyl-3-nitrobenzamide

N-hydroxy-2-methyl-3-nitrobenzamide (PubChem CID 24690706) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is N-hydroxy-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-3-nitrobenzamide
PubChem CID24690706
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC NameN-hydroxy-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NO)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c1-5-6(8(11)9-12)3-2-4-7(5)10(13)14/h2-4,12H,1H3,(H,9,11)
InChIKeyDVNIVNVBQROBIC-UHFFFAOYSA-N
XLogP1.02
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
N-(methoxymethoxy)-2-methyl-3-nitrobenzamide
CID 110495565
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]propanoate
CID 60638962
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
2-methyl-3-nitro-N-[(2S)-pentan-2-yl]benzamide
CID 879627
N-(1-cyanoethyl)-2-methyl-3-nitrobenzamide
CID 61120058
2-methyl-N-[4-(methylamino)cyclohexyl]-3-nitrobenzamide
CID 79117750
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-3-nitrobenzamide?
The IUPAC name of N-hydroxy-2-methyl-3-nitrobenzamide (CID 24690706) is N-hydroxy-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-hydroxy-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-hydroxy-2-methyl-3-nitrobenzamide is Cc1c(C(=O)NO)cccc1[N+](=O)[O-].
What is the InChIKey of N-hydroxy-2-methyl-3-nitrobenzamide?
The InChIKey is DVNIVNVBQROBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-5-6(8(11)9-12)3-2-4-7(5)10(13)14/h2-4,12H,1H3,(H,9,11).
What are the key properties of N-hydroxy-2-methyl-3-nitrobenzamide?
N-hydroxy-2-methyl-3-nitrobenzamide has a molecular weight of 196.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 24690706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).