CID 52361281
PubChem CID
52361281
Structure
Molecular Formula
Status
Non-live
Molecular Weight
353.25 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(2S)-2-acetamido-N-(4-bromo-2-methylphenyl)-2-cyclopentylacetamide
InChI=1S/C16H21BrN2O2/c1-10-9-13(17)7-8-14(10)19-16(21)15(18-11(2)20)12-5-3-4-6-12/h7-9,12,15H,3-6H2,1-2H3,(H,18,20)(H,19,21)/t15-/m0/s1
JSGHWWKUJMWBPA-HNNXBMFYSA-N
CC1=C(C=CC(=C1)Br)NC(=O)[C@H](C2CCCC2)NC(=O)C
C16H21BrN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
353.25 g/mol
Property Name
XLogP3-AA
Property Value
3.4
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
4
Property Name
Exact Mass
Property Value
352.07864 g/mol
Property Name
Monoisotopic Mass
Property Value
352.07864 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.2 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
382
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