CID 47203841
PubChem CID
47203841
Structure
Molecular Formula
Status
Non-live
Molecular Weight
252.74 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-[3-chloro-2-(dimethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
InChI=1S/C13H17ClN2O/c1-8-7-9(8)13(17)15-11-6-4-5-10(14)12(11)16(2)3/h4-6,8-9H,7H2,1-3H3,(H,15,17)
UESPWCHLYIYLIY-UHFFFAOYSA-N
CC1CC1C(=O)NC2=C(C(=CC=C2)Cl)N(C)C
C13H17ClN2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
252.74 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
252.1029409 g/mol
Property Name
Monoisotopic Mass
Property Value
252.1029409 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.3 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
295
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