CAS 23207-75-2 N-(2-benzoylphenyl)-2-chloroacetamide (HCID 2064069)

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Basic information

CAS: 23207-75-2
Standard SMILES: O=C(CCl)Nc1ccccc1C(=O)c1ccccc1
InChIKey: HIMNRRQRDQNAEN-UHFFFAOYSA-N
Molecular formula: C15H12ClNO2
Average molar mass: 273.71 g/mol
Monoisotopic mass: 273.0556563

Names & identifiers

Preferred name: N-(2-benzoylphenyl)-2-chloroacetamide
IUPAC: N-(2-benzoylphenyl)-2-chloroacetamide
English name: N-(2-Benzoyl-phenyl)-2-chloro-acetamide
Molecular formula: C15H12ClNO2
Molecular weight: 273.71

Names & synonyms

N-(2-benzoylphenyl)-2-chloroacetamide23207-75-2DTXSID20366413RefChem:360485DTXCID90317452MFCD00127827Epinastine Impurity 232-ChloroacetamidobenzophenoneAcetamide, N-(2-benzoylphenyl)-2-chloro-2-chloro-N-[2-(phenylcarbonyl)phenyl]acetamideHMS2697C06MLS001004908

Show more names

Epinastine Impurity 50N-(2-Benzoyl-phenyl)-2-chloro-acetamide

2-Chloroacetamido-benzophenoneCHEMBL1337919SCHEMBL10814639SCHEMBL31541283HIMNRRQRDQNAEN-UHFFFAOYSA-NYAA20775STK507060AKOS000400670

Database identifiers

CAS: 23207-75-2
PubChem CID: 2064069
DTXSID: DTXSID20366413
ChEMBL: CHEMBL1337919

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 326

Experimental & physicochemical properties

Solubility>41.1 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 94 · 94-95 °C
Boiling point: 504.2 · 504.2±35.0 °C(Predicted)
Density: 1.29 · 1.290±0.06 g/cm3(Predicted)
pka: 12.31 · 12.31±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Suppliers18 total

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

Related reactions

3 records

New reaction record

HRID 308400As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1973067As reactantuspto-grants-1976_12

HRID 1973070As reactantuspto-grants-1976_12

Compound notes

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