N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide

C14H12N2O4 — CID 141373878

IUPACN-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4/c1-9-2-7-12(17)8-13(9)15-14(18)10-3-5-11(6-4-10)16(19)20/h2-8,17H,1H3,(H,15,18)
InChIKeyAKWLTRYXKCYZOM-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds3

About N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide

N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide (PubChem CID 141373878) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
PubChem CID141373878
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4/c1-9-2-7-12(17)8-13(9)15-14(18)10-3-5-11(6-4-10)16(19)20/h2-8,17H,1H3,(H,15,18)
InChIKeyAKWLTRYXKCYZOM-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

N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide
CID 126649145
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
N-(4-hydroxy-2,3-dimethylphenyl)-4-nitrobenzamide
CID 5230659
6-hydroxy-3-[(4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid
CID 23348315
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide (CID 141373878) is N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide is Cc1ccc(O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide?
The InChIKey is AKWLTRYXKCYZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-9-2-7-12(17)8-13(9)15-14(18)10-3-5-11(6-4-10)16(19)20/h2-8,17H,1H3,(H,15,18).
What are the key properties of N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide?
N-(5-hydroxy-2-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 N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 141373878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).