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

C13H13N3O — CID 68784077

IUPAC5-amino-2-(2-aminophenyl)benzamide
SMILESNC(=O)c1cc(N)ccc1-c1ccccc1N
InChIInChI=1S/C13H13N3O/c14-8-5-6-9(11(7-8)13(16)17)10-3-1-2-4-12(10)15/h1-7H,14-15H2,(H2,16,17)
InChIKeyJLRUFGYAIZSHTK-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.62
Rot. Bonds2

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

5-amino-2-(2-aminophenyl)benzamide (PubChem CID 68784077) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-amino-2-(2-aminophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-aminophenyl)benzamide
PubChem CID68784077
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name5-amino-2-(2-aminophenyl)benzamide
SMILESNC(=O)c1cc(N)ccc1-c1ccccc1N
InChIInChI=1S/C13H13N3O/c14-8-5-6-9(11(7-8)13(16)17)10-3-1-2-4-12(10)15/h1-7H,14-15H2,(H2,16,17)
InChIKeyJLRUFGYAIZSHTK-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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Related Compounds

5-amino-2-(4-aminophenyl)benzamide
CID 68787804
5-amino-2-(2,6-difluorophenyl)benzamide
CID 175316606
2-(2-aminophenyl)benzoyl chloride
CID 54476428
4-(2-aminophenyl)-3-fluoroaniline
CID 68788831
[4-amino-2-(2-aminophenyl)phenyl]methanol
CID 68786238
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
5-amino-2-(4-amino-1,3-dioxoisoindol-2-yl)benzamide
CID 139787327
bis(2-aminobenzamide);platinum(2+)
CID 50912239
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
3-(2-aminophenyl)-5-bromo-2-fluorobenzamide
CID 142784567
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
4-(2-aminophenyl)-3-methylsulfanylaniline
CID 68788038

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-aminophenyl)benzamide?
The IUPAC name of 5-amino-2-(2-aminophenyl)benzamide (CID 68784077) is 5-amino-2-(2-aminophenyl)benzamide.
What is the SMILES notation for 5-amino-2-(2-aminophenyl)benzamide?
The canonical SMILES for 5-amino-2-(2-aminophenyl)benzamide is NC(=O)c1cc(N)ccc1-c1ccccc1N.
What is the InChIKey of 5-amino-2-(2-aminophenyl)benzamide?
The InChIKey is JLRUFGYAIZSHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-8-5-6-9(11(7-8)13(16)17)10-3-1-2-4-12(10)15/h1-7H,14-15H2,(H2,16,17).
What are the key properties of 5-amino-2-(2-aminophenyl)benzamide?
5-amino-2-(2-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-(2-aminophenyl)benzamide is sourced from PubChem (CID 68784077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).