3,4-diaminobenzamide

C7H9N3O — CID 21217843

IUPAC3,4-diaminobenzamide
SMILESNC(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C7H9N3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H2,10,11)
InChIKeyRGJXMMUQTCONEI-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.05
Rot. Bonds1

About 3,4-diaminobenzamide

3,4-diaminobenzamide (PubChem CID 21217843) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3,4-diaminobenzamide.

Molecular Properties

Compound Name3,4-diaminobenzamide
PubChem CID21217843
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3,4-diaminobenzamide
SMILESNC(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C7H9N3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H2,10,11)
InChIKeyRGJXMMUQTCONEI-UHFFFAOYSA-N
XLogP-0.05
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diaminobenzamide?
The IUPAC name of 3,4-diaminobenzamide (CID 21217843) is 3,4-diaminobenzamide.
What is the SMILES notation for 3,4-diaminobenzamide?
The canonical SMILES for 3,4-diaminobenzamide is NC(=O)c1ccc(N)c(N)c1.
What is the InChIKey of 3,4-diaminobenzamide?
The InChIKey is RGJXMMUQTCONEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H2,10,11).
What are the key properties of 3,4-diaminobenzamide?
3,4-diaminobenzamide has a molecular weight of 151.17 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminobenzamide is sourced from PubChem (CID 21217843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).