CAS 497061-30-0 | 4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide | CAS Number 497061-30-0

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497061-30-0 | 4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

CAS No: 497061-30-0 Catalog No: AG00ITL3 MDL No:MFCD01567532

Product Description

Catalog Number:

AG00ITL3

Chemical Name:

4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

CAS Number:

497061-30-0

Molecular Formula:

C18H20N2O2

Molecular Weight:

296.3636

MDL Number:

MFCD01567532

IUPAC Name:

4-(2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide

InChI:

InChI=1S/C18H20N2O2/c1-11-8-14-15(9-18(2,3)10-16(14)21)20(11)13-6-4-12(5-7-13)17(19)22/h4-8H,9-10H2,1-3H3,(H2,19,22)

InChI Key:

DGGDKWPNFSCGSD-UHFFFAOYSA-N

SMILES:

NC(=O)c1ccc(cc1)n1c(C)cc2c1CC(C)(C)CC2=O

Properties

Complexity:

466

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.37g/mol

Monoisotopic Mass:

296.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Discovery of novel 2-aminobenzamide inhibitors of heat shock protein 90 as potent, selective and orally active antitumor agents.	Journal of medicinal chemistry 20090723
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