N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide

C16H15ClN2O3 — CID 3683466

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(C)c1
InChIInChI=1S/C16H15ClN2O3/c1-9-4-5-12(10(2)6-9)16(20)18-14-8-13(17)15(19(21)22)7-11(14)3/h4-8H,1-3H3,(H,18,20)
InChIKeyQPUGRTGTDFFLHQ-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.43
Rot. Bonds3

About N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide

N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide (PubChem CID 3683466) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
PubChem CID3683466
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(C)c1
InChIInChI=1S/C16H15ClN2O3/c1-9-4-5-12(10(2)6-9)16(20)18-14-8-13(17)15(19(21)22)7-11(14)3/h4-8H,1-3H3,(H,18,20)
InChIKeyQPUGRTGTDFFLHQ-UHFFFAOYSA-N
XLogP4.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.43
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-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide 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-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
CID 17102198
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
CID 2910232
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842
N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-iodobenzamide
CID 17115404
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
CID 86912988

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide (CID 3683466) is N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(C)c1.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide?
The InChIKey is QPUGRTGTDFFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-9-4-5-12(10(2)6-9)16(20)18-14-8-13(17)15(19(21)22)7-11(14)3/h4-8H,1-3H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide has a molecular weight of 318.76 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 3683466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).