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

C16H16N2O3 — CID 711333

IUPACN-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-4-5-11(2)14(8-10)17-16(19)13-7-6-12(3)15(9-13)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyNSQIZPVQQLOGTK-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.77
Rot. Bonds3

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

N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide (PubChem CID 711333) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
PubChem CID711333
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-4-5-11(2)14(8-10)17-16(19)13-7-6-12(3)15(9-13)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyNSQIZPVQQLOGTK-UHFFFAOYSA-N
XLogP3.77
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-hydroxy-4-nitrobenzamide
CID 103606052
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
4-methyl-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 7365047
4-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)-3-nitrobenzamide
CID 55375511
N-(2,5-dimethylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 17405245
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
N-(2-cyanophenyl)-4-methyl-3-nitrobenzamide
CID 24710737
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
N-[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 23969400
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide (CID 711333) is N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide is Cc1ccc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is NSQIZPVQQLOGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-4-5-11(2)14(8-10)17-16(19)13-7-6-12(3)15(9-13)18(20)21/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide?
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide has a molecular weight of 284.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 711333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).