N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide

C16H14N2O5 — CID 7948545

IUPACN-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O5/c1-10(19)12-5-3-4-6-13(12)17-16(20)11-7-8-15(23-2)14(9-11)18(21)22/h3-9H,1-2H3,(H,17,20)
InChIKeyXTDQLJLVZTUGAL-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.06
Rot. Bonds5

About N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide

N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 7948545) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
PubChem CID7948545
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC NameN-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O5/c1-10(19)12-5-3-4-6-13(12)17-16(20)11-7-8-15(23-2)14(9-11)18(21)22/h3-9H,1-2H3,(H,17,20)
InChIKeyXTDQLJLVZTUGAL-UHFFFAOYSA-N
XLogP3.06
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.06
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-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 42893742
dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]benzene-1,4-dicarboxylate
CID 601931
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
N-isoquinolin-5-yl-4-methoxy-3-nitrobenzamide
CID 8763192

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide (CID 7948545) is N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2ccccc2C(C)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is XTDQLJLVZTUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-10(19)12-5-3-4-6-13(12)17-16(20)11-7-8-15(23-2)14(9-11)18(21)22/h3-9H,1-2H3,(H,17,20).
What are the key properties of N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide?
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 314.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 7948545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).