2,3-diaminobenzamide;dihydrochloride

C7H11Cl2N3O — CID 53422807

IUPAC2,3-diaminobenzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccc(N)c1N
InChIInChI=1S/C7H9N3O.2ClH/c8-5-3-1-2-4(6(5)9)7(10)11;;/h1-3H,8-9H2,(H2,10,11);2*1H
InChIKeyQRZIEYWNYLXKSK-UHFFFAOYSA-N
MW224.09 g/mol
LogP0.79
Rot. Bonds1

About 2,3-diaminobenzamide;dihydrochloride

2,3-diaminobenzamide;dihydrochloride (PubChem CID 53422807) has the molecular formula C7H11Cl2N3O and a molecular weight of 224.09 g/mol. Its IUPAC name is 2,3-diaminobenzamide;dihydrochloride.

Molecular Properties

Compound Name2,3-diaminobenzamide;dihydrochloride
PubChem CID53422807
Molecular FormulaC7H11Cl2N3O
Molecular Weight224.09 g/mol
Exact Mass223.03
IUPAC Name2,3-diaminobenzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccc(N)c1N
InChIInChI=1S/C7H9N3O.2ClH/c8-5-3-1-2-4(6(5)9)7(10)11;;/h1-3H,8-9H2,(H2,10,11);2*1H
InChIKeyQRZIEYWNYLXKSK-UHFFFAOYSA-N
XLogP0.79
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-diaminobenzamide;hydrochloride
CID 118989521
bis(2-aminobenzamide);platinum(2+)
CID 50912239
3-amino-2-iodobenzamide
CID 70101113
2-amino-3-iodobenzamide
CID 67497450
2-amino-3-[2-(2-amino-3-carbamoylphenyl)phenyl]benzamide
CID 54284404
amino 2,3-diaminobenzoate
CID 66872276
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
2,3-diaminobenzohydrazide
CID 54556928
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
2-aminobenzamide;piperazine
CID 174878244
1-(2,3-diaminophenyl)-2-phenylethane-1,2-dione
CID 18936582
1-(2,3-diaminophenyl)propan-1-one
CID 14773132

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminobenzamide;dihydrochloride?
The IUPAC name of 2,3-diaminobenzamide;dihydrochloride (CID 53422807) is 2,3-diaminobenzamide;dihydrochloride.
What is the SMILES notation for 2,3-diaminobenzamide;dihydrochloride?
The canonical SMILES for 2,3-diaminobenzamide;dihydrochloride is Cl.Cl.NC(=O)c1cccc(N)c1N.
What is the InChIKey of 2,3-diaminobenzamide;dihydrochloride?
The InChIKey is QRZIEYWNYLXKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.2ClH/c8-5-3-1-2-4(6(5)9)7(10)11;;/h1-3H,8-9H2,(H2,10,11);2*1H.
What are the key properties of 2,3-diaminobenzamide;dihydrochloride?
2,3-diaminobenzamide;dihydrochloride has a molecular weight of 224.09 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminobenzamide;dihydrochloride is sourced from PubChem (CID 53422807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).