N-(4-ethoxyphenyl)-2-nitrobenzamide

C15H14N2O4 — CID 711444

IUPACN-(4-ethoxyphenyl)-2-nitrobenzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-12-9-7-11(8-10-12)16-15(18)13-5-3-4-6-14(13)17(19)20/h3-10H,2H2,1H3,(H,16,18)
InChIKeyVOXNCKLXCVHBAK-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.25
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-nitrobenzamide

N-(4-ethoxyphenyl)-2-nitrobenzamide (PubChem CID 711444) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-nitrobenzamide
PubChem CID711444
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(4-ethoxyphenyl)-2-nitrobenzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-12-9-7-11(8-10-12)16-15(18)13-5-3-4-6-14(13)17(19)20/h3-10H,2H2,1H3,(H,16,18)
InChIKeyVOXNCKLXCVHBAK-UHFFFAOYSA-N
XLogP3.25
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.25
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-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17130519
N-[(4-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 882509
N-[4-(2-methylpropoxy)phenyl]-2-nitrobenzamide
CID 4940473
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 18231124
N-(4-ethoxyphenyl)-3-methyl-2-nitrobenzamide
CID 889390
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 26949935
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-nitrobenzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-nitrobenzamide (CID 711444) is N-(4-ethoxyphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-nitrobenzamide is CCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-nitrobenzamide?
The InChIKey is VOXNCKLXCVHBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-21-12-9-7-11(8-10-12)16-15(18)13-5-3-4-6-14(13)17(19)20/h3-10H,2H2,1H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-2-nitrobenzamide?
N-(4-ethoxyphenyl)-2-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-nitrobenzamide is sourced from PubChem (CID 711444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).