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

C16H15N3O4 — CID 711304

IUPACN-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O4/c1-10-6-7-12(8-15(10)19(22)23)16(21)18-14-5-3-4-13(9-14)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyCXYXYUQDWCMCQA-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.11
Rot. Bonds4

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

N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide (PubChem CID 711304) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide
PubChem CID711304
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O4/c1-10-6-7-12(8-15(10)19(22)23)16(21)18-14-5-3-4-13(9-14)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyCXYXYUQDWCMCQA-UHFFFAOYSA-N
XLogP3.11
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Benzamide, N-(3-nitrophenyl)-
CID 78503
(R)-(-)-N-(3,5-Dinitrobenzoyl)-alpha-phenylethylamine
CID 2794133
4'-Nitrobenzanilide
CID 76930
N-(2-Methyl-5-nitrophenyl)benzamide
CID 269062
Benzeneacetamide, N-(3-nitrophenyl)-
CID 531991
4'-Nitro-p-toluanilide
CID 99257
N-(2-(Benzoylamino)-4-nitrophenyl)benzamide
CID 3655259
4-tert-butyl-N-(3-nitrophenyl)benzamide
CID 772637
4-Nitro-N-(3-((4-nitrobenzoyl)amino)phenyl)benzamide
CID 5022541
4'-Fluoro-3-nitrobenzanilide
CID 765293
2'-Nitrobenzanilide
CID 69769
Benzamide, N-(3-aminophenyl)-
CID 72896

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide (CID 711304) is N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is CXYXYUQDWCMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-6-7-12(8-15(10)19(22)23)16(21)18-14-5-3-4-13(9-14)17-11(2)20/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide?
N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide has a molecular weight of 313.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 711304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).