2-Chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide - CAS 1258641-14-3
Catalog: |
BB069961 |
Product Name: |
2-Chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide |
CAS: |
1258641-14-3 |
Synonyms: |
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide; Acetamide, 2-chloro-N-[(1-phenyl-3-pyrrolidinyl)methyl]- |
IUPAC Name: | 2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide |
Molecular Weight: | 252.73 |
Molecular Formula: | C13H17N2OCl |
Canonical SMILES: | C1CN(CC1CNC(=O)CCl)C2=CC=CC=C2 |
InChI: | InChI=1S/C13H17ClN2O/c14-8-13(17)15-9-11-6-7-16(10-11)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,15,17) |
InChI Key: | WLULHBFMUJZNIV-UHFFFAOYSA-N |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.1029409 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.1029409 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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