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2-chloro-N-[(2R)-2-diethylamino-2-furan-2-ylethyl]acetamide,Canonical

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摘 要: 2-chloro-N-[(2R)-2-diethylamino-2-furan-2-ylethyl]acetamide,Canonical SMILES: CCN(CC)C(CNC(=O)CCl)C1=CC=CO1,Isomeric SMILES: CCN(CC)[C@H](CNC(=O)CCl)C1=CC=CO1,InChI: InChI=1/C12H19ClN2O2/c1-3-15(4-2)10(9-14-12(16)8-13)11-6-5-7-17-11/h5-7,,10H,3-4,8-
[Synonyms]

[Structure]
 2-chloro-N-[(2R)-2-diethylamino-2-furan-2-ylethyl]acetamide,Canonical

[ Properties Computed from Structure]
Molecular Weight258.74446 [g/mol]
Molecular FormulaC12H19ClN2O2
XLogP1.2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count2
Exact Mass258.113506
MonoIsotopic Mass258.113506
Topological Polar Surface Area45.5
Heavy Atom Count17
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-chloro-N-[(2R)-2-diethylamino-2-furan-2-ylethyl]acetamide
Canonical SMILES: CCN(CC)C(CNC(=O)CCl)C1=CC=CO1
Isomeric SMILES: CCN(CC)[C@H](CNC(=O)CCl)C1=CC=CO1
InChI: InChI=1/C12H19ClN2O2/c1-3-15(4-2)10(9-14-12(16)8-13)11-6-5-7-17-11/h5-7,
10H,3-4,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1/f/h14H

 
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