N,3,3-trimethyl-2-{[3-(trifluoromethyl)phenyl]formamido}butanamide

N,3,3-trimethyl-2-{[3-(trifluoromethyl)phenyl]formamido}butanamide

CAS: 318498-20-3

Formula: C15H19F3N2O2

SMILES: CNC(=O)C(NC(=O)C1=CC=CC(=C1)C(F)(F)F)C(C)(C)C

IUPAC: N,3,3-trimethyl-2-{[3-(trifluoromethyl)phenyl]formamido}butanamide

InChI: InChI=1/C15H19F3N2O2/c1-14(2,3)11(13(22)19-4)20-12(21)9-6-5-7-10(8-9)15(16,17)18/h5-8,11H,1-4H3,(H,19,22)(H,20,21)

Composition: C (56.96%), H (6.05%), F (18.02%), N (8.86%), O (10.12%)

Molar Mass: 316.324

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	316.139862349
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	QWOZOSSCUJTOQL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.7
Topological Polar Surface Area	58.2
Polarizability	28.41
Ring Count	1
Rotatable Bond Count	5

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	318498-20-3		$51.35-$86.31$51.35$63.37$86.31