IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[2-[[2-chloro-5-(trifluorome

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	451.29011 [g/mol]
Molecular Formula	C18H15Cl2F3N2O2S
XLogP	4.7
H-Bond Donor	2
H-Bond Acceptor	5
Rotatable Bond Count	6
Tautomer Count	4
Exact Mass	450.018338
MonoIsotopic Mass	450.018338
Topological Polar Surface Area	58.2
Heavy Atom Count	28
Formal Charge	0
Complexity	553
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[2-[[2-chloro-5-(trifluoromethyl)phenyl]
amino]-2-oxoethyl]sulfanylacetamide
Canonical SMILES: CC1=C(C=CC=C1Cl)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
InChI: InChI=1/C18H15Cl2F3N2O2S/c1-10-12(19)3-2-4-14(10)24-16(26)8-28-9-17(27)
25-15-7-11(18(21,22)23)5-6-13(15)20/h2-7H,8-9H2,1H3,(H,24,26)(H,25,
27)/f/h24-25H