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

C15H14N2O3 — CID 710720

IUPACN-(3,5-dimethylphenyl)-3-nitrobenzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14N2O3/c1-10-6-11(2)8-13(7-10)16-15(18)12-4-3-5-14(9-12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyOIZWLGYRGCTUFV-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.46
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-3-nitrobenzamide (PubChem CID 710720) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-nitrobenzamide
PubChem CID710720
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(3,5-dimethylphenyl)-3-nitrobenzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H14N2O3/c1-10-6-11(2)8-13(7-10)16-15(18)12-4-3-5-14(9-12)17(19)20/h3-9H,1-2H3,(H,16,18)
InChIKeyOIZWLGYRGCTUFV-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'}

Analyze N-(3,5-dimethylphenyl)-3-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

N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51159201
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
N-[4-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 22782384
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N-[3-[1-(3,5-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide
CID 18905128
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
N-[4-(dimethylamino)phenyl]-3-nitrobenzamide
CID 870378
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-nitrobenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-nitrobenzamide (CID 710720) is N-(3,5-dimethylphenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-nitrobenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-nitrobenzamide is Cc1cc(C)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-nitrobenzamide?
The InChIKey is OIZWLGYRGCTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-6-11(2)8-13(7-10)16-15(18)12-4-3-5-14(9-12)17(19)20/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-(3,5-dimethylphenyl)-3-nitrobenzamide?
N-(3,5-dimethylphenyl)-3-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)-3-nitrobenzamide is sourced from PubChem (CID 710720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).