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Home > Fluorides > 857497-79-1
857497-79-1 | 3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxo-
CAS No: 857497-79-1 Catalog No: AG004YA4 MDL No:
Product Description
Catalog Number:
AG004YA4
Chemical Name:
3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxo-
CAS Number:
857497-79-1
Molecular Formula:
C17H20F2N2O2
Molecular Weight:
322.3497
IUPAC Name:
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
InChI:
InChI=1S/C17H20F2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)
InChI Key:
HZTMPDOVKYDTNV-UHFFFAOYSA-N
SMILES:
O=C(C1CC(=O)N(C1)C1CCCCC1)Nc1cc(F)cc(c1)F
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.149g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.356g/mol
Monoisotopic Mass:
322.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis. | Journal of medicinal chemistry 20061019 |
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