2-(Phenylamino)Benzamide

HCID 96455

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Basic information

CAS: 1211-19-4
Standard SMILES: NC(=O)c1ccccc1Nc1ccccc1
InChIKey: JKWQUMKCVDUICQ-UHFFFAOYSA-N
Molecular formula: C13H12N2O
Average molar mass: 212.25 g/mol
Monoisotopic mass: 212.094963

Names & identifiers

Preferred name: 2-(Phenylamino)Benzamide
IUPAC: 2-anilinobenzamide
English name: BenzaMide, 2-(phenylaMino)-
Molecular formula: C13H12N2O
Molecular weight: 212.25

Names & synonyms

2-(phenylamino)benzamide1211-19-4Benzamide, o-anilino-DTXSID50153151RefChem:1061979DTXCID10756422-AnilinobenzamideBenzamide, 2-(phenylamino)-SIRT-IN-3MFCD004765292-Phenylaminobenzamide2-phenylamino-benzamide

Show more names

Ethanol,2-[(5-bromo-4-pyrimidinyl)oxy]-

CHEMBL561194SCHEMBL1318994KUC112561NHY-133998EN300-7414302BRD-K79647146-001-01-2Z135897260Anilinobenzamide

Database identifiers

CAS: 1211-19-4
PubChem CID: 96455
DTXSID: DTXSID50153151
ChEMBL: CHEMBL561194
Nikkaji: J1.354.434D

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 236

Physicochemical properties

Melting point: 122 °C · 122 °C
Boiling point: 413.3 · 413.3±28.0 °C(Predicted)
Density: 1.218 · 1.218±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 250 mg/mL · DMSO: 250 mg/mL (1177.86 mM)
form: Solid
pka: 15.59 · 15.59±0.50(Predicted)
color: White to yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesSIRT-IN-3 is a potent SIRT inhibitor, with an IC50 of 17 μM for SIRT1. SIRT-IN-3 shows about 4-fold and 14-fold selectivity for SIRT1 over SIRT2 and SIRT3, respectively (IC50 of 74 μM and 235 μM for SIRT2 and SIRT3, respectively)[1].