2-(3-methoxyphenyl)-2-oxoethyl 4-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoate

2-(3-methoxyphenyl)-2-oxoethyl 4-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoate

Formula: C21H20F3NO5

SMILES: COC1=CC=CC(=C1)C(=O)COC(=O)CCCC(=O)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: 2-(3-methoxyphenyl)-2-oxoethyl 4-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoate

InChI: InChI=1S/C21H20F3NO5/c1-29-17-8-2-5-14(11-17)18(26)13-30-20(28)10-4-9-19(27)25-16-7-3-6-15(12-16)21(22,23)24/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,25,27)

Composition: C (59.57%), H (4.76%), F (13.46%), N (3.31%), O (18.89%)

Molar Mass: 423.388

Atom Count: 50

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	423.129357237
Formal Charge	0
FSP3	0.29
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CAHOWZYFRSWMLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.52
Topological Polar Surface Area	81.7
Polarizability	38.51
Ring Count	2
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20F3NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00