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Home > Fluorides > 1001390-06-2
1001390-06-2 | 2-Pyrrolidinecarboxamide, N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxo-, (2R)-
CAS No: 1001390-06-2 Catalog No: AG00012Q MDL No:
Product Description
Catalog Number:
AG00012Q
Chemical Name:
2-Pyrrolidinecarboxamide, N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxo-, (2R)-
CAS Number:
1001390-06-2
Molecular Formula:
C14H14ClF3N2O2
Molecular Weight:
334.7214
IUPAC Name:
(2R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
InChI:
InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m1/s1
InChI Key:
BJEMSIVBBUBXMZ-SNVBAGLBSA-N
SMILES:
CN1C(=O)CC[C@@H]1C(=O)NCc1cccc(c1Cl)C(F)(F)F
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
334.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.723g/mol
Monoisotopic Mass:
334.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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