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

C16H16N2O3 — CID 779436

IUPACN-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-6-11(2)8-14(7-10)17-16(19)13-5-4-12(3)15(9-13)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyZFUQNHMYTICAAL-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.77
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide (PubChem CID 779436) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
PubChem CID779436
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-6-11(2)8-14(7-10)17-16(19)13-5-4-12(3)15(9-13)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyZFUQNHMYTICAAL-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

4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(3,5-dimethylphenyl)-4-methylsulfanyl-3-nitrobenzamide
CID 2477356
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonic acid
CID 3019589
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
diethyl 5-[(4-methyl-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 26874274
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
N-(3-iodophenyl)-4-methyl-3-nitrobenzamide
CID 18076816
sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate
CID 3019588
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
N-(3-bromo-5-methylphenyl)-4-fluoro-3-nitrobenzamide
CID 104938562

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide (CID 779436) is N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide is Cc1cc(C)cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is ZFUQNHMYTICAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-6-11(2)8-14(7-10)17-16(19)13-5-4-12(3)15(9-13)18(20)21/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide?
N-(3,5-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-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 779436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).