2,3-diaminobenzene-1,4-dicarboxamide

C8H10N4O2 — CID 142757766

IUPAC2,3-diaminobenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(N)c1N
InChIInChI=1S/C8H10N4O2/c9-5-3(7(11)13)1-2-4(6(5)10)8(12)14/h1-2H,9-10H2,(H2,11,13)(H2,12,14)
InChIKeyGIFJVXRNKAFBQR-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.95
Rot. Bonds2

About 2,3-diaminobenzene-1,4-dicarboxamide

2,3-diaminobenzene-1,4-dicarboxamide (PubChem CID 142757766) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2,3-diaminobenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,3-diaminobenzene-1,4-dicarboxamide
PubChem CID142757766
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2,3-diaminobenzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)c(N)c1N
InChIInChI=1S/C8H10N4O2/c9-5-3(7(11)13)1-2-4(6(5)10)8(12)14/h1-2H,9-10H2,(H2,11,13)(H2,12,14)
InChIKeyGIFJVXRNKAFBQR-UHFFFAOYSA-N
XLogP-0.95
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-diamino-4-hydroxybenzamide
CID 70024037
2-amino-3-iodobenzamide
CID 67497450
benzene-1,2,3,4-tetracarboxamide
CID 54274025
2-amino-3-bromo-4-fluorobenzamide
CID 139748040
2,3-diaminobenzamide;hydrochloride
CID 118989521
2,3-diaminobenzamide;dihydrochloride
CID 53422807
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404
2,3-diiodobenzene-1,4-dicarboxamide
CID 175130034
3-amino-2-bromopyridine-4-carboxamide
CID 112757948
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminobenzene-1,4-dicarboxamide?
The IUPAC name of 2,3-diaminobenzene-1,4-dicarboxamide (CID 142757766) is 2,3-diaminobenzene-1,4-dicarboxamide.
What is the SMILES notation for 2,3-diaminobenzene-1,4-dicarboxamide?
The canonical SMILES for 2,3-diaminobenzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)c(N)c1N.
What is the InChIKey of 2,3-diaminobenzene-1,4-dicarboxamide?
The InChIKey is GIFJVXRNKAFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-5-3(7(11)13)1-2-4(6(5)10)8(12)14/h1-2H,9-10H2,(H2,11,13)(H2,12,14).
What are the key properties of 2,3-diaminobenzene-1,4-dicarboxamide?
2,3-diaminobenzene-1,4-dicarboxamide has a molecular weight of 194.19 g/mol, XLogP of -0.95, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminobenzene-1,4-dicarboxamide is sourced from PubChem (CID 142757766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).