N-(4-formylphenyl)-2-nitrobenzamide

C14H10N2O4 — CID 25179247

IUPACN-(4-formylphenyl)-2-nitrobenzamide
SMILESO=Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O4/c17-9-10-5-7-11(8-6-10)15-14(18)12-3-1-2-4-13(12)16(19)20/h1-9H,(H,15,18)
InChIKeyZHEUQUJJVMCURO-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.66
Rot. Bonds4

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

N-(4-formylphenyl)-2-nitrobenzamide (PubChem CID 25179247) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is N-(4-formylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-formylphenyl)-2-nitrobenzamide
PubChem CID25179247
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC NameN-(4-formylphenyl)-2-nitrobenzamide
SMILESO=Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O4/c17-9-10-5-7-11(8-6-10)15-14(18)12-3-1-2-4-13(12)16(19)20/h1-9H,(H,15,18)
InChIKeyZHEUQUJJVMCURO-UHFFFAOYSA-N
XLogP2.66
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-formylphenyl)-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
4-fluoro-N-(4-formylphenyl)-2-nitrobenzamide
CID 106912364
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318
2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986151
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3393738

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)-2-nitrobenzamide?
The IUPAC name of N-(4-formylphenyl)-2-nitrobenzamide (CID 25179247) is N-(4-formylphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(4-formylphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(4-formylphenyl)-2-nitrobenzamide is O=Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-formylphenyl)-2-nitrobenzamide?
The InChIKey is ZHEUQUJJVMCURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-9-10-5-7-11(8-6-10)15-14(18)12-3-1-2-4-13(12)16(19)20/h1-9H,(H,15,18).
What are the key properties of N-(4-formylphenyl)-2-nitrobenzamide?
N-(4-formylphenyl)-2-nitrobenzamide has a molecular weight of 270.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 25179247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).