Basic information
- CAS
51847-02-0- Standard SMILES
O=C(NCCCl)c1ccc(Cl)cc1- InChIKey
MDUXCQKPDCOYJQ-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NO
- Average molar mass
- 218.08 g/mol
- Monoisotopic mass
- 217.00611927
Names & identifiers
- Preferred name
- 4-Chloro-n-(2-chloroethyl)benzamide
- IUPAC
- 4-chloro-N-(2-chloroethyl)benzamide
- English name
- 4-Chloro-N-(2-chloroethyl)benzamide
- Molecular formula
- C9H9Cl2NO
- Molecular weight
- 218.07986
Names & synonyms
4-chloro-n-(2-chloroethyl)benzamide51847-02-0NSC33144SCHEMBL11476769DTXSID10283726MDUXCQKPDCOYJQ-UHFFFAOYSA-NMFCD11612213NSC-33144AKOS010542044p-chloro-N-(2-chloroethyl)-benzamide
Database identifiers
- CAS
51847-02-0- PubChem CID
- 233978
- DTXSID
DTXSID10283726
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- white
Chemistry & industry
Applications
Uses4-Chloro-N-(2-chloroethyl)benzamide is an intermediate in the synthesis of Moclobemide-d8 which is the labeled analogue of Moclobemide (M481000), a reversible monoamine oxidase inhibitor.
Suppliers4 total
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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