4-[(1-{[4-cyano-3-(trifluoromethyl)phenyl]carbamoyl}-1-methylethyl)amino]-2-fluoro-N-methylbenzamide

4-[(1-{[4-cyano-3-(trifluoromethyl)phenyl]carbamoyl}-1-methylethyl)amino]-2-fluoro-N-methylbenzamide

Formula: C20H18F4N4O2

SMILES: CNC(=O)C1=C(F)C=C(NC(C)(C)C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)C=C1

IUPAC: 4-[(1-{[4-cyano-3-(trifluoromethyl)phenyl]carbamoyl}-1-methylethyl)amino]-2-fluoro-N-methylbenzamide

InChI: InChI=1S/C20H18F4N4O2/c1-19(2,28-13-6-7-14(16(21)9-13)17(29)26-3)18(30)27-12-5-4-11(10-25)15(8-12)20(22,23)24/h4-9,28H,1-3H3,(H,26,29)(H,27,30)

Composition: C (56.87%), H (4.30%), F (17.99%), N (13.26%), O (7.58%)

Molar Mass: 422.384

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	422.136588488
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	DWOZGYGNKMSXPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.71
Topological Polar Surface Area	94.02
Polarizability	37.05
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C20H18F4N4O2		Quote Only