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Home > Indoles and Oxindole > 17954-05-1
17954-05-1 | 1H-Indole-2-carboxamide, N-phenyl-
CAS No: 17954-05-1 Catalog No: AG00273H MDL No:
Product Description
Catalog Number:
AG00273H
Chemical Name:
1H-Indole-2-carboxamide, N-phenyl-
CAS Number:
17954-05-1
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
IUPAC Name:
N-phenyl-1H-indole-2-carboxamide
InChI:
InChI=1S/C15H12N2O/c18-15(16-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)17-14/h1-10,17H,(H,16,18)
InChI Key:
ARBMSJKZZZWLOE-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c([nH]1)cccc2)Nc1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Exploration of new scaffolds as potential MAO-A inhibitors using pharmacophore and 3D-QSAR based in silico screening. | Bioorganic & medicinal chemistry letters 20110415 |
| Synthesis, structure-activity relationships and molecular modeling studies of new indole inhibitors of monoamine oxidases A and B. | Bioorganic & medicinal chemistry 20081115 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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