N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide

C16H16N2O4 — CID 953258

IUPACN-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O4/c1-10-4-6-13(11(2)8-10)16(19)17-12-5-7-15(22-3)14(9-12)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyNPIHSOKHDQUBBH-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.47
Rot. Bonds4

About N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide

N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide (PubChem CID 953258) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
PubChem CID953258
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H16N2O4/c1-10-4-6-13(11(2)8-10)16(19)17-12-5-7-15(22-3)14(9-12)18(20)21/h4-9H,1-3H3,(H,17,19)
InChIKeyNPIHSOKHDQUBBH-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

5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
(2,4-dimethylphenyl)-(4-methoxy-3-nitrophenyl)methanone
CID 91678423
methyl 2-[(4-methoxy-3-nitrophenyl)carbamoyl]benzoate
CID 108785557
N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-2-methylbenzamide
CID 17100410
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
N-(4-methoxy-3-nitrophenyl)propanamide
CID 2995377
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316
N-(4-methoxy-3-nitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17101923
N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide
CID 75484436
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
CID 2307230

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide (CID 953258) is N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide is COc1ccc(NC(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide?
The InChIKey is NPIHSOKHDQUBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-4-6-13(11(2)8-10)16(19)17-12-5-7-15(22-3)14(9-12)18(20)21/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide?
N-(4-methoxy-3-nitrophenyl)-2,4-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-(4-methoxy-3-nitrophenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 953258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).