2-Chloro-2-phenylacetamide - CAS 7462-76-2
Catalog: |
BB073053 |
Product Name: |
2-Chloro-2-phenylacetamide |
CAS: |
7462-76-2 |
Synonyms: |
2-chloro-2-phenylacetamide; phenylchloroacetamide; 2-chloro-2-phenyl acetamide; benzeneacetamide, alpha-chloro- |
IUPAC Name: | 2-chloro-2-phenylacetamide |
Description: | 2-Chloro-2-phenylacetamide (cas# 7462-76-2) is a useful reagent in the prospective computational design and in vitro bioanalytical test of new chemical entities as potential selective cypa lyase inhibitors. |
Molecular Weight: | 169.6 |
Molecular Formula: | C8H8NOCl |
Canonical SMILES: | C1=CC=C(C=C1)C(C(=O)N)Cl |
InChI: | InChI=1S/C8H8ClNO/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11) |
InChI Key: | FJEOFVLOXGUWBH-UHFFFAOYSA-N |
References: | Gumede, N. J., et al. Bioorg. Chem., 94, 103462 (2020). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0294416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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