CID 51891562
PubChem CID
51891562
Structure
Molecular Formula
Status
Non-live
Molecular Weight
309.2 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
2-chloro-N-[(1S)-1-(3-chlorophenyl)propyl]pyridine-4-carboxamide
InChI=1S/C15H14Cl2N2O/c1-2-13(10-4-3-5-12(16)8-10)19-15(20)11-6-7-18-14(17)9-11/h3-9,13H,2H2,1H3,(H,19,20)/t13-/m0/s1
HCCMRAJXRCMIJN-ZDUSSCGKSA-N
CC[C@@H](C1=CC(=CC=C1)Cl)NC(=O)C2=CC(=NC=C2)Cl
C15H14Cl2N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
309.2 g/mol
Property Name
XLogP3-AA
Property Value
4.1
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
4
Property Name
Exact Mass
Property Value
308.0483185 g/mol
Property Name
Monoisotopic Mass
Property Value
308.0483185 g/mol
Property Name
Topological Polar Surface Area
Property Value
42 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
327
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