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N'-[(4-chlorophenyl)methyl]-N-[(2R)-2-hydroxypropyl]oxamide,Canonical

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摘 要: N'-[(4-chlorophenyl)methyl]-N-[(2R)-2-hydroxypropyl]oxamide,Canonical SMILES: CC(CNC(=O)C(=O)NCC1=CC=C(C=C1)Cl)O,Isomeric SMILES: C[C@H](CNC(=O)C(=O)NCC1=CC=C(C=C1)Cl)O,InChI: InChI=1/C12H15ClN2O3/c1-8(16)6-14-11(17)12(18)15-7-9-2-4-10(13)5-3-9/h2-,
[Synonyms]

[Structure]
 N'-[(4-chlorophenyl)methyl]-N-[(2R)-2-hydroxypropyl]oxamide,Canonical

[ Properties Computed from Structure]
Molecular Weight270.7121 [g/mol]
Molecular FormulaC12H15ClN2O3
XLogP1
H-Bond Donor3
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count4
Exact Mass270.07712
MonoIsotopic Mass270.07712
Topological Polar Surface Area78.4
Heavy Atom Count18
Formal Charge0
Complexity291
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: N'-[(4-chlorophenyl)methyl]-N-[(2R)-2-hydroxypropyl]oxamide
Canonical SMILES: CC(CNC(=O)C(=O)NCC1=CC=C(C=C1)Cl)O
Isomeric SMILES: C[C@H](CNC(=O)C(=O)NCC1=CC=C(C=C1)Cl)O
InChI: InChI=1/C12H15ClN2O3/c1-8(16)6-14-11(17)12(18)15-7-9-2-4-10(13)5-3-9/h2-
5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1/f/h14-15H

 
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