CID 49451348
PubChem CID
49451348
Structure
Molecular Formula
Status
Non-live
Molecular Weight
346.2 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
4-[3-(2,6-dichloroanilino)-3-oxopropyl]morpholine-2-carboxamide
InChI=1S/C14H17Cl2N3O3/c15-9-2-1-3-10(16)13(9)18-12(20)4-5-19-6-7-22-11(8-19)14(17)21/h1-3,11H,4-8H2,(H2,17,21)(H,18,20)
MWKFYVBZLBXIFA-UHFFFAOYSA-N
C1COC(CN1CCC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)N
C14H17Cl2N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
346.2 g/mol
Property Name
XLogP3-AA
Property Value
0.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
345.0646968 g/mol
Property Name
Monoisotopic Mass
Property Value
345.0646968 g/mol
Property Name
Topological Polar Surface Area
Property Value
84.7 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
401
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
1
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