N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide

C16H16N2O4 — CID 92556710

IUPACN-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H16N2O4/c1-10-4-5-11(2)13(8-10)16(19)17-14-9-12(18(20)21)6-7-15(14)22-3/h4-9H,1-3H3,(H,17,19)
InChIKeyHTLJZYZBZMVAPK-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.47
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide

N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide (PubChem CID 92556710) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
PubChem CID92556710
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H16N2O4/c1-10-4-5-11(2)13(8-10)16(19)17-14-9-12(18(20)21)6-7-15(14)22-3/h4-9H,1-3H3,(H,17,19)
InChIKeyHTLJZYZBZMVAPK-UHFFFAOYSA-N
XLogP3.47
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
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

N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
CID 167080640
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-chloro-N-(2-methoxy-5-nitrophenyl)furan-3-carboxamide
CID 106685355
N-(5-chloro-2-methoxyphenyl)-2-iodo-4-nitrobenzamide
CID 60619551
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 47026238
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide (CID 92556710) is N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide?
The InChIKey is HTLJZYZBZMVAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-4-5-11(2)13(8-10)16(19)17-14-9-12(18(20)21)6-7-15(14)22-3/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide?
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide has a molecular weight of 300.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 92556710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).