N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide

C16H16N2O3 — CID 27827757

IUPACN-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O3/c1-12-5-3-4-6-14(12)11-17(2)16(19)13-7-9-15(10-8-13)18(20)21/h3-10H,11H2,1-2H3
InChIKeyQUFMYTXIWAGKOP-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.18
Rot. Bonds4

About N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide

N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide (PubChem CID 27827757) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
PubChem CID27827757
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16N2O3/c1-12-5-3-4-6-14(12)11-17(2)16(19)13-7-9-15(10-8-13)18(20)21/h3-10H,11H2,1-2H3
InChIKeyQUFMYTXIWAGKOP-UHFFFAOYSA-N
XLogP3.18
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
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'}

Analyze N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
N-methyl-N-[(2-methylphenyl)methyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26558363
4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 51098556
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
N-methyl-N-[(2-methylphenyl)methyl]-5-nitrothiophene-2-carboxamide
CID 18113997
N-[(2-bromophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 32812242
4-(cyclopropylamino)-N-methyl-N-[(2-methylphenyl)methyl]-3-nitrobenzamide
CID 9368521
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide (CID 27827757) is N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide is Cc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide?
The InChIKey is QUFMYTXIWAGKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12-5-3-4-6-14(12)11-17(2)16(19)13-7-9-15(10-8-13)18(20)21/h3-10H,11H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide?
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide has a molecular weight of 284.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 27827757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).