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

C15H14N2O4 — CID 102740831

IUPACN-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C15H14N2O4/c1-9-6-10(2)8-11(7-9)16-15(19)12-4-3-5-13(14(12)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKeyTVSTZDXYHUQGRW-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.17
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide (PubChem CID 102740831) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
PubChem CID102740831
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C15H14N2O4/c1-9-6-10(2)8-11(7-9)16-15(19)12-4-3-5-13(14(12)18)17(20)21/h3-8,18H,1-2H3,(H,16,19)
InChIKeyTVSTZDXYHUQGRW-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-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
CID 115931324
N-(2-fluoro-4-methylphenyl)-2-hydroxy-3-nitrobenzamide
CID 103875064
N-(4-bromo-3-chlorophenyl)-2-hydroxy-3-nitrobenzamide
CID 107613195
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
CID 102560035
2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 115936364
2-methyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 779960
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564684

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide (CID 102740831) is N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide is Cc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide?
The InChIKey is TVSTZDXYHUQGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-6-10(2)8-11(7-9)16-15(19)12-4-3-5-13(14(12)18)17(20)21/h3-8,18H,1-2H3,(H,16,19).
What are the key properties of N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide?
N-(3,5-dimethylphenyl)-2-hydroxy-3-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-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 102740831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).