CAS 17954-05-1 | 1H-Indole-2-carboxamide, N-phenyl- | CAS Number 17954-05-1

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.274g/mol

Monoisotopic Mass:

236.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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