N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide

C16H16N2O3 — CID 4065155

IUPACN-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
SMILESCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-3-12-4-7-14(8-5-12)17-16(19)13-6-9-15(18(20)21)11(2)10-13/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyVQYXIUIXETZOQA-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.72
Rot. Bonds4

About N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide

N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide (PubChem CID 4065155) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
PubChem CID4065155
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
SMILESCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-3-12-4-7-14(8-5-12)17-16(19)13-6-9-15(18(20)21)11(2)10-13/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyVQYXIUIXETZOQA-UHFFFAOYSA-N
XLogP3.72
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.72
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-[4-(diethylaminomethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 959332
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(4-ethylphenyl)-3-nitrobenzamide
CID 23881568
N-[4-(acetylcarbamothioylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 5230068
5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 7278870
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 4592752
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 2279055
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-nitrobenzamide
CID 18274650
N-(2-ethyl-6-methylphenyl)-3-methyl-4-nitrobenzamide
CID 924495
N-(4-ethylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63210110

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide?
The IUPAC name of N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide (CID 4065155) is N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide is CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide?
The InChIKey is VQYXIUIXETZOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-12-4-7-14(8-5-12)17-16(19)13-6-9-15(18(20)21)11(2)10-13/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide?
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide has a molecular weight of 284.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 4065155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).