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913741-72-7 | 3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(3-iodophenyl)-5-oxo-
CAS No: 913741-72-7 Catalog No: AG006NL9 MDL No:
Product Description
Catalog Number:
AG006NL9
Chemical Name:
3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(3-iodophenyl)-5-oxo-
CAS Number:
913741-72-7
Molecular Formula:
C17H21IN2O2
Molecular Weight:
412.2653
IUPAC Name:
1-cyclohexyl-N-(3-iodophenyl)-5-oxopyrrolidine-3-carboxamide
InChI:
InChI=1S/C17H21IN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)
InChI Key:
SXDQBDJZNLWVAE-UHFFFAOYSA-N
SMILES:
O=C(C1CC(=O)N(C1)C1CCCCC1)Nc1cccc(c1)I
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.271g/mol
Monoisotopic Mass:
412.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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