CID 52378335
PubChem CID
52378335
Structure
Molecular Formula
Status
Non-live
Molecular Weight
322.81 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2R)-N-[2-chloro-5-(diethylcarbamoyl)phenyl]-2,5-dihydro-1H-pyrrol-1-ium-2-carboxamide
InChI=1S/C16H20ClN3O2/c1-3-20(4-2)16(22)11-7-8-12(17)14(10-11)19-15(21)13-6-5-9-18-13/h5-8,10,13,18H,3-4,9H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1
TZOPPLUQGOHQMD-CYBMUJFWSA-O
CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)[C@H]2C=CC[NH2+]2
C16H21ClN3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
322.81 g/mol
Property Name
XLogP3-AA
Property Value
2
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
5
Property Name
Exact Mass
Property Value
322.1322296 g/mol
Property Name
Monoisotopic Mass
Property Value
322.1322296 g/mol
Property Name
Topological Polar Surface Area
Property Value
66 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
437
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
CONTENTS