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119670-11-0 | Benzamide, 3,5-dichloro-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dihydroxy-
CAS No: 119670-11-0 Catalog No: AG000PFN MDL No:MFCD02179385
Product Description
Catalog Number:
AG000PFN
Chemical Name:
Benzamide, 3,5-dichloro-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dihydroxy-
CAS Number:
119670-11-0
Molecular Formula:
C14H18Cl2N2O3
Molecular Weight:
333.2103
MDL Number:
MFCD02179385
IUPAC Name:
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dihydroxybenzamide
InChI:
InChI=1S/C14H18Cl2N2O3/c1-2-18-5-3-4-8(18)7-17-14(21)11-12(19)9(15)6-10(16)13(11)20/h6,8,19-20H,2-5,7H2,1H3,(H,17,21)/t8-/m0/s1
InChI Key:
DPQOMEPZWBXAMA-QMMMGPOBSA-N
SMILES:
CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(c1O)Cl
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
332.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.209g/mol
Monoisotopic Mass:
332.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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