3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide

C16H16N2O5 — CID 5110983

IUPAC3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H16N2O5/c1-10-4-6-12(13(8-10)18(20)21)17-16(19)11-5-7-14(22-2)15(9-11)23-3/h4-9H,1-3H3,(H,17,19)
InChIKeyDMLSXYAORPRJBV-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.17
Rot. Bonds5

About 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide

3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide (PubChem CID 5110983) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide
PubChem CID5110983
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H16N2O5/c1-10-4-6-12(13(8-10)18(20)21)17-16(19)11-5-7-14(22-2)15(9-11)23-3/h4-9H,1-3H3,(H,17,19)
InChIKeyDMLSXYAORPRJBV-UHFFFAOYSA-N
XLogP3.17
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
3-amino-4-bromo-N-(4-methyl-2-nitrophenyl)benzamide
CID 107812904
4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
CID 739661
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide
CID 2930791
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
3,4,5-trimethoxy-N-[2-nitro-4-(3,4,5-trimethoxyphenyl)phenyl]benzamide
CID 56945197
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
N-(4-methyl-2-nitrophenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 126188400
[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991481
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide (CID 5110983) is 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide is COc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide?
The InChIKey is DMLSXYAORPRJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10-4-6-12(13(8-10)18(20)21)17-16(19)11-5-7-14(22-2)15(9-11)23-3/h4-9H,1-3H3,(H,17,19).
What are the key properties of 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide?
3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide has a molecular weight of 316.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide is sourced from PubChem (CID 5110983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).