5-amino-2-(4-aminophenyl)benzamide

C13H13N3O — CID 68787804

IUPAC5-amino-2-(4-aminophenyl)benzamide
SMILESNC(=O)c1cc(N)ccc1-c1ccc(N)cc1
InChIInChI=1S/C13H13N3O/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7H,14-15H2,(H2,16,17)
InChIKeyKPKLHGGBTXSRHV-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.62
Rot. Bonds2

About 5-amino-2-(4-aminophenyl)benzamide

5-amino-2-(4-aminophenyl)benzamide (PubChem CID 68787804) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-amino-2-(4-aminophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-aminophenyl)benzamide
PubChem CID68787804
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-amino-2-(4-aminophenyl)benzamide
SMILESNC(=O)c1cc(N)ccc1-c1ccc(N)cc1
InChIInChI=1S/C13H13N3O/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7H,14-15H2,(H2,16,17)
InChIKeyKPKLHGGBTXSRHV-UHFFFAOYSA-N
XLogP1.62
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.62
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 5-amino-2-(4-aminophenyl)benzamide?
The IUPAC name of 5-amino-2-(4-aminophenyl)benzamide (CID 68787804) is 5-amino-2-(4-aminophenyl)benzamide.
What is the SMILES notation for 5-amino-2-(4-aminophenyl)benzamide?
The canonical SMILES for 5-amino-2-(4-aminophenyl)benzamide is NC(=O)c1cc(N)ccc1-c1ccc(N)cc1.
What is the InChIKey of 5-amino-2-(4-aminophenyl)benzamide?
The InChIKey is KPKLHGGBTXSRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7H,14-15H2,(H2,16,17).
What are the key properties of 5-amino-2-(4-aminophenyl)benzamide?
5-amino-2-(4-aminophenyl)benzamide has a molecular weight of 227.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-aminophenyl)benzamide is sourced from PubChem (CID 68787804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).