CID 49504523
PubChem CID
49504523
Structure
Molecular Formula
Status
Non-live
Molecular Weight
353.4 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylbenzamide
InChI=1S/C20H20FN3O2/c1-13-4-2-3-5-16(13)20(26)24-12-19(25)22-9-8-14-11-23-18-10-15(21)6-7-17(14)18/h2-7,10-11,23H,8-9,12H2,1H3,(H,22,25)(H,24,26)
NIQPQNNNGHRRGJ-UHFFFAOYSA-N
CC1=CC=CC=C1C(=O)NCC(=O)NCCC2=CNC3=C2C=CC(=C3)F
C20H20FN3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
353.4 g/mol
Property Name
XLogP3-AA
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
353.15395505 g/mol
Property Name
Monoisotopic Mass
Property Value
353.15395505 g/mol
Property Name
Topological Polar Surface Area
Property Value
74 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
501
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS