CID 45782353
PubChem CID
45782353
Structure
Molecular Formula
Status
Non-live
Molecular Weight
381.5 g/mol
Dates
- Create:2010-06-21
Chemical Structure Depiction
2,4-difluoro-N-[3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropyl]benzamide
InChI=1S/C20H29F2N3O2/c1-14(2)24(3)13-15-7-10-25(11-8-15)19(26)6-9-23-20(27)17-5-4-16(21)12-18(17)22/h4-5,12,14-15H,6-11,13H2,1-3H3,(H,23,27)
HQBRQVQPHFHGNU-UHFFFAOYSA-N
CC(C)N(C)CC1CCN(CC1)C(=O)CCNC(=O)C2=C(C=C(C=C2)F)F
C20H29F2N3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
381.5 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
381.22278350 g/mol
Property Name
Monoisotopic Mass
Property Value
381.22278350 g/mol
Property Name
Topological Polar Surface Area
Property Value
52.7 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
496
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
Old substance
Old substance
CONTENTS