3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide

C14H12N2O4 — CID 17411476

IUPAC3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1
InChIInChI=1S/C14H12N2O4/c1-9-2-5-11(6-3-9)15-14(18)10-4-7-12(16(19)20)13(17)8-10/h2-8,17H,1H3,(H,15,18)
InChIKeyNYMKXLNHBUPMSU-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds3

About 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide

3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide (PubChem CID 17411476) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
PubChem CID17411476
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1
InChIInChI=1S/C14H12N2O4/c1-9-2-5-11(6-3-9)15-14(18)10-4-7-12(16(19)20)13(17)8-10/h2-8,17H,1H3,(H,15,18)
InChIKeyNYMKXLNHBUPMSU-UHFFFAOYSA-N
XLogP2.86
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.86
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

3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103606052
4-methyl-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19174835
N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 102740461
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103746875
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
CID 3834916
4-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide?
The IUPAC name of 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide (CID 17411476) is 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide.
What is the SMILES notation for 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide?
The canonical SMILES for 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide is Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1.
What is the InChIKey of 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide?
The InChIKey is NYMKXLNHBUPMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-2-5-11(6-3-9)15-14(18)10-4-7-12(16(19)20)13(17)8-10/h2-8,17H,1H3,(H,15,18).
What are the key properties of 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide?
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 17411476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).