N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide

C15H14N2O4 — CID 103606052

IUPACN-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1
InChIInChI=1S/C15H14N2O4/c1-9-3-4-10(2)12(7-9)16-15(19)11-5-6-13(17(20)21)14(18)8-11/h3-8,18H,1-2H3,(H,16,19)
InChIKeyMQLSDGDMQRBZPB-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.17
Rot. Bonds3

About N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide

N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide (PubChem CID 103606052) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
PubChem CID103606052
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1
InChIInChI=1S/C15H14N2O4/c1-9-3-4-10(2)12(7-9)16-15(19)11-5-6-13(17(20)21)14(18)8-11/h3-8,18H,1-2H3,(H,16,19)
InChIKeyMQLSDGDMQRBZPB-UHFFFAOYSA-N
XLogP3.17
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103746875
N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 102740461
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
4-methyl-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 7365047
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
4-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)-3-nitrobenzamide
CID 55375511
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 17405245
N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
CID 102741114
2-[(3-hydroxy-4-nitrobenzoyl)amino]benzoic acid
CID 165346961
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-3-methyl-4-nitrobenzamide
CID 28671312

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide (CID 103606052) is N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide is Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide?
The InChIKey is MQLSDGDMQRBZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-3-4-10(2)12(7-9)16-15(19)11-5-6-13(17(20)21)14(18)8-11/h3-8,18H,1-2H3,(H,16,19).
What are the key properties of N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide?
N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 103606052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).