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Home > Fluorides > 101387-76-2
101387-76-2 | Methanone, [4-(4-fluorobenzoyl)-1-piperidinyl](4-nitrophenyl)-
CAS No: 101387-76-2 Catalog No: AG0004CI MDL No:
Product Description
Catalog Number:
AG0004CI
Chemical Name:
Methanone, [4-(4-fluorobenzoyl)-1-piperidinyl](4-nitrophenyl)-
CAS Number:
101387-76-2
Molecular Formula:
C19H17FN2O4
Molecular Weight:
356.3477
IUPAC Name:
(4-fluorophenyl)-[1-(4-nitrobenzoyl)piperidin-4-yl]methanone
InChI:
InChI=1S/C19H17FN2O4/c20-16-5-1-13(2-6-16)18(23)14-9-11-21(12-10-14)19(24)15-3-7-17(8-4-15)22(25)26/h1-8,14H,9-12H2
InChI Key:
OQSRBUHCUKFCAC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.353g/mol
Monoisotopic Mass:
356.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents, leading to improved design sets for parallel SAR exploration of a chemical series. | Bioorganic & medicinal chemistry 20100615 |
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