3-oxo-N-phenyl-2-({[4-(trifluoromethoxy)phenyl]amino}methylidene)butanamide

3-oxo-N-phenyl-2-({[4-(trifluoromethoxy)phenyl]amino}methylidene)butanamide

CAS: 1025649-39-1

Formula: C18H15F3N2O3

SMILES: CC(=O)C(=CNC1=CC=C(OC(F)(F)F)C=C1)C(=O)NC1=CC=CC=C1

IUPAC: 3-oxo-N-phenyl-2-({[4-(trifluoromethoxy)phenyl]amino}methylidene)butanamide

InChI: InChI=1S/C18H15F3N2O3/c1-12(24)16(17(25)23-14-5-3-2-4-6-14)11-22-13-7-9-15(10-8-13)26-18(19,20)21/h2-11,22H,1H3,(H,23,25)

Composition: C (59.34%), H (4.15%), F (15.64%), N (7.69%), O (13.17%)

Molar Mass: 364.324

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	364.10347684
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NDSXWUMGJJMYEG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.23
Topological Polar Surface Area	67.43
Polarizability	33.1
Ring Count	2
Rotatable Bond Count	7

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90%	<2 Days	1025649-39-1		$51.35-$86.31$51.35$63.37$86.31