N-(4-amino-2-nitrophenyl)-4-nitrobenzamide

C13H10N4O5 — CID 3089914

IUPACN-(4-amino-2-nitrophenyl)-4-nitrobenzamide
SMILESNc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c14-9-3-6-11(12(7-9)17(21)22)15-13(18)8-1-4-10(5-2-8)16(19)20/h1-7H,14H2,(H,15,18)
InChIKeyQZNGJZNSQBFFLJ-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.34
Rot. Bonds4

About N-(4-amino-2-nitrophenyl)-4-nitrobenzamide

N-(4-amino-2-nitrophenyl)-4-nitrobenzamide (PubChem CID 3089914) has the molecular formula C13H10N4O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-(4-amino-2-nitrophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-nitrophenyl)-4-nitrobenzamide
PubChem CID3089914
Molecular FormulaC13H10N4O5
Molecular Weight302.25 g/mol
Exact Mass302.07
IUPAC NameN-(4-amino-2-nitrophenyl)-4-nitrobenzamide
SMILESNc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N4O5/c14-9-3-6-11(12(7-9)17(21)22)15-13(18)8-1-4-10(5-2-8)16(19)20/h1-7H,14H2,(H,15,18)
InChIKeyQZNGJZNSQBFFLJ-UHFFFAOYSA-N
XLogP2.34
TPSA141.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695956
4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
CID 3956705
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621
4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide
CID 44665405
N-(4-aminothiophen-3-yl)-4-nitrobenzamide
CID 139816874
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-nitrophenyl)-4-nitrobenzamide?
The IUPAC name of N-(4-amino-2-nitrophenyl)-4-nitrobenzamide (CID 3089914) is N-(4-amino-2-nitrophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-amino-2-nitrophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-amino-2-nitrophenyl)-4-nitrobenzamide is Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-amino-2-nitrophenyl)-4-nitrobenzamide?
The InChIKey is QZNGJZNSQBFFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O5/c14-9-3-6-11(12(7-9)17(21)22)15-13(18)8-1-4-10(5-2-8)16(19)20/h1-7H,14H2,(H,15,18).
What are the key properties of N-(4-amino-2-nitrophenyl)-4-nitrobenzamide?
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide has a molecular weight of 302.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-nitrophenyl)-4-nitrobenzamide is sourced from PubChem (CID 3089914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).