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N-({[(2-chloro-4-fluorophenyl)methoxy]imino}methyl)-2-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-phenylpropanamide

N-({[(2-chloro-4-fluorophenyl)methoxy]imino}methyl)-2-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-phenylpropanamide

CAS: 338748-55-3

Formula: C22H23ClFN3O3

SMILES: CC1(C)CN(C(CC2=CC=CC=C2)C(=O)NC=NOCC2=C(Cl)C=C(F)C=C2)C1=O

IUPAC: N-({[(2-chloro-4-fluorophenyl)methoxy]imino}methyl)-2-(3,3-dimethyl-2-oxoazetidin-1-yl)-3-phenylpropanamide

InChI: InChI=1/C22H23ClFN3O3/c1-22(2)13-27(21(22)29)19(10-15-6-4-3-5-7-15)20(28)25-14-26-30-12-16-8-9-17(24)11-18(16)23/h3-9,11,14,19H,10,12-13H2,1-2H3,(H,25,26,28)

Composition: C (61.18%), H (5.37%), Cl (8.21%), F (4.40%), N (9.73%), O (11.11%)

Molar Mass: 431.89

Atom Count: 53

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 431.1411975
Formal Charge 0
FSP3 0.32
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey MFIMRDYJABQNHY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.51
Topological Polar Surface Area 71
Polarizability 43.04
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338748-55-3 $51.35-$86.31$51.35$63.37$86.31
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