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

C15H14N2O3 — CID 2843294

IUPACN-(3,5-dimethylphenyl)-4-nitrobenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N2O3/c1-10-7-11(2)9-13(8-10)16-15(18)12-3-5-14(6-4-12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyIZFDUPBWBGBEMM-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.46
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-4-nitrobenzamide (PubChem CID 2843294) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-nitrobenzamide
PubChem CID2843294
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(3,5-dimethylphenyl)-4-nitrobenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H14N2O3/c1-10-7-11(2)9-13(8-10)16-15(18)12-3-5-14(6-4-12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyIZFDUPBWBGBEMM-UHFFFAOYSA-N
XLogP3.46
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.46
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-(3-bromo-5-methylphenyl)-4-nitrobenzamide
CID 104938740
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-[4-[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-nitrobenzamide
CID 23101156
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-(3,5-dimethylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 2477356
N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-nitrobenzamide (CID 2843294) is N-(3,5-dimethylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-nitrobenzamide is Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-nitrobenzamide?
The InChIKey is IZFDUPBWBGBEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-7-11(2)9-13(8-10)16-15(18)12-3-5-14(6-4-12)17(19)20/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-(3,5-dimethylphenyl)-4-nitrobenzamide?
N-(3,5-dimethylphenyl)-4-nitrobenzamide has a molecular weight of 270.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 2843294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).