4-amino-5-nitrobenzene-1,2-dicarboxamide

C8H8N4O4 — CID 146673880

IUPAC4-amino-5-nitrobenzene-1,2-dicarboxamide
SMILESNC(=O)c1cc(N)c([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C8H8N4O4/c9-5-1-3(7(10)13)4(8(11)14)2-6(5)12(15)16/h1-2H,9H2,(H2,10,13)(H2,11,14)
InChIKeyAKUGYLJQQVZSKY-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.63
Rot. Bonds3

About 4-amino-5-nitrobenzene-1,2-dicarboxamide

4-amino-5-nitrobenzene-1,2-dicarboxamide (PubChem CID 146673880) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 4-amino-5-nitrobenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-nitrobenzene-1,2-dicarboxamide
PubChem CID146673880
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name4-amino-5-nitrobenzene-1,2-dicarboxamide
SMILESNC(=O)c1cc(N)c([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C8H8N4O4/c9-5-1-3(7(10)13)4(8(11)14)2-6(5)12(15)16/h1-2H,9H2,(H2,10,13)(H2,11,14)
InChIKeyAKUGYLJQQVZSKY-UHFFFAOYSA-N
XLogP-0.63
TPSA155.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-amino-4,5-dinitrobenzamide
CID 119012907
4-amino-2-fluoro-5-nitrobenzoate
CID 59785336
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
2-chloro-4-iodo-5-nitrobenzamide
CID 171004738
sodium 4-amino-2-methoxy-5-nitrobenzoate
CID 21275767
4,5-dichloro-2-nitrobenzamide
CID 69073651
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
1-(5-amino-2-methyl-4-nitrophenyl)-2-chloroethanone
CID 171023447
1-(4-amino-2-fluoro-5-nitrophenyl)-2-bromoethanone
CID 171018225
2-chloro-5-iodo-4-nitrobenzamide
CID 171004893
5-amino-2,4-dinitrobenzenethiol
CID 88541379
4-[4-(4-aminophenyl)phenyl]-2-chloro-5-nitrobenzamide;hydrochloride
CID 173240333

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-nitrobenzene-1,2-dicarboxamide?
The IUPAC name of 4-amino-5-nitrobenzene-1,2-dicarboxamide (CID 146673880) is 4-amino-5-nitrobenzene-1,2-dicarboxamide.
What is the SMILES notation for 4-amino-5-nitrobenzene-1,2-dicarboxamide?
The canonical SMILES for 4-amino-5-nitrobenzene-1,2-dicarboxamide is NC(=O)c1cc(N)c([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 4-amino-5-nitrobenzene-1,2-dicarboxamide?
The InChIKey is AKUGYLJQQVZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c9-5-1-3(7(10)13)4(8(11)14)2-6(5)12(15)16/h1-2H,9H2,(H2,10,13)(H2,11,14).
What are the key properties of 4-amino-5-nitrobenzene-1,2-dicarboxamide?
4-amino-5-nitrobenzene-1,2-dicarboxamide has a molecular weight of 224.18 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-nitrobenzene-1,2-dicarboxamide is sourced from PubChem (CID 146673880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).