Basic information
- CAS
63565-22-0- Standard SMILES
Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1- InChIKey
ZYAVWGWJKCHJLF-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0559907
Names & identifiers
- Preferred name
- N-(4-amino-2-chlorophenyl)benzamide
- IUPAC
- N-(4-amino-2-chlorophenyl)benzamide
- English name
- N-(4-amino-2-chlorophenyl)benzamide
- Molecular formula
- C13H11ClN2O
- Molecular weight
- 246.69
Names & synonyms
N-(4-amino-2-chlorophenyl)benzamide63565-22-0MFCD02624796Oprea1_707594SCHEMBL3529060ZYAVWGWJKCHJLF-UHFFFAOYSA-NN-benzoyl 2-chloro-4-aminoanilineSBB000869AKOS000132869N-(4-amino-2-chloro-phenyl)benzamideST020978DB-119602
Show more names
Benzamide, N-(4-amino-2-chlorophenyl)-
CS-0367842
Database identifiers
- CAS
63565-22-0- PubChem CID
- 679477
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 150 · 150-152 °C(Solv: water (7732-18-5); methanol (67-56-1); water (7732-18-5))
- Boiling point
- 335.5 · 335.5±32.0 °C(Predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Predicted)
- pka
- 12.21 · 12.21±0.70(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
2 records
Compound notes
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