CID 46062521
PubChem CID
46062521
Structure
Molecular Formula
Status
Non-live
Molecular Weight
346.8 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
InChI=1S/C18H19ClN2O3/c1-12-5-6-13(10-16(12)19)21-8-7-15(18(21)23)17(22)20(2)11-14-4-3-9-24-14/h3-6,9-10,15H,7-8,11H2,1-2H3
BQTDCPYMSTZKGQ-UHFFFAOYSA-N
CC1=C(C=C(C=C1)N2CCC(C2=O)C(=O)N(C)CC3=CC=CO3)Cl
C18H19ClN2O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
346.8 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
346.1084202 g/mol
Property Name
Monoisotopic Mass
Property Value
346.1084202 g/mol
Property Name
Topological Polar Surface Area
Property Value
53.8 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
487
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
Old substance
Old substance
Old substance
CONTENTS