CID 39356346
PubChem CID
39356346
Structure
Molecular Formula
Status
Non-live
Molecular Weight
253.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-(4-fluorophenyl)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]acetamide
InChI=1S/C14H20FNO2/c1-10(2)7-13(9-17)16-14(18)8-11-3-5-12(15)6-4-11/h3-6,10,13,17H,7-9H2,1-2H3,(H,16,18)/t13-/m1/s1
URLAMLAZRABNJO-CYBMUJFWSA-N
CC(C)C[C@H](CO)NC(=O)CC1=CC=C(C=C1)F
C14H20FNO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
253.31 g/mol
Property Name
XLogP3-AA
Property Value
2.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
253.14780704 g/mol
Property Name
Monoisotopic Mass
Property Value
253.14780704 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.3 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
250
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS