CID 47249781
PubChem CID
47249781
Structure
Molecular Formula
Status
Non-live
Molecular Weight
280.75 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-[2-chloro-5-(propanoylamino)phenyl]-2-methylcyclopropane-1-carboxamide
InChI=1S/C14H17ClN2O2/c1-3-13(18)16-9-4-5-11(15)12(7-9)17-14(19)10-6-8(10)2/h4-5,7-8,10H,3,6H2,1-2H3,(H,16,18)(H,17,19)
FLKIJFACHNRPJH-UHFFFAOYSA-N
CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CC2C
C14H17ClN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
280.75 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
2
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
280.0978555 g/mol
Property Name
Monoisotopic Mass
Property Value
280.0978555 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.2 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
361
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
2
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