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142014-00-4 | 2,5-Pyrrolidinedione, 1-(4-fluorophenyl)-3-(phenylamino)-
CAS No: 142014-00-4 Catalog No: AG001HKK MDL No:
Product Description
Catalog Number:
AG001HKK
Chemical Name:
2,5-Pyrrolidinedione, 1-(4-fluorophenyl)-3-(phenylamino)-
CAS Number:
142014-00-4
Molecular Formula:
C16H13FN2O2
Molecular Weight:
284.2850
IUPAC Name:
3-anilino-1-(4-fluorophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C16H13FN2O2/c17-11-6-8-13(9-7-11)19-15(20)10-14(16(19)21)18-12-4-2-1-3-5-12/h1-9,14,18H,10H2
InChI Key:
SSFHGNSQZAUSNX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1C(=O)CC(C1=O)Nc1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.29g/mol
Monoisotopic Mass:
284.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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