Benzamide, N,N'-1,3-phenylenebis[4-amino-
Basic information
- CAS
2362-25-6- Standard SMILES
Nc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1- InChIKey
OEIUYPYXOYZUAX-UHFFFAOYSA-N- Molecular formula
- C20H18N4O2
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.14297583
Names & identifiers
- Preferred name
- Benzamide, N,N'-1,3-phenylenebis[4-amino-
- IUPAC
- 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
- English name
- Benzamide, N,N'-1,3-phenylenebis[4-amino-
- Molecular formula
- C20H18N4O2
- Molecular weight
- 346.38252
Names & synonyms
2362-25-6N,N'-(1,3-Phenylene)bis(4-aminobenzamide)Benzamide, N,N'-1,3-phenylenebis[4-amino-GI-560708BCR-ABL-IN-114-AMINO-N-[3-(4-AMINOBENZAMIDO)PHENYL]BENZAMIDEOprea1_209403MLS001202899CHEMBL421431orb2945385SCHEMBL2126663DTXSID20354077
Show more names
HMS2841O04AKOS000634907AC-37862AS-86407SMR000518644HY-169608ST45138565ST50302983
Database identifiers
- CAS
2362-25-6- PubChem CID
- 762890
- DTXSID
DTXSID20354077- ChEMBL
CHEMBL421431- Nikkaji
- J814.848A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 440
Experimental & physicochemical properties
Solubility34.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesBCR-ABL-IN-11 (Compound 2) is a BCR-ABL inhibitor. BCR-ABL-IN-11 shows anticancer activity against chronic myelogenous leukemia (CML) (IC50 of 129.61 μM for K562 cells)[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…