4-(3,5-dimethylphenyl)-2-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoic acid

4-(3,5-dimethylphenyl)-2-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoic acid

Formula: C21H22F3NO3

SMILES: CC(C(CC1=CC(C)=CC(C)=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F)C(O)=O

IUPAC: 4-(3,5-dimethylphenyl)-2-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}butanoic acid

InChI: InChI=1/C21H22F3NO3/c1-12-7-13(2)9-15(8-12)10-18(14(3)20(27)28)19(26)25-17-6-4-5-16(11-17)21(22,23)24/h4-9,11,14,18H,10H2,1-3H3,(H,25,26)(H,27,28)

Composition: C (64.11%), H (5.64%), F (14.49%), N (3.56%), O (12.20%)

Molar Mass: 393.406

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	393.155178061
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RFWOUCYBEZXBDI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	101.72
Topological Polar Surface Area	66.4
Polarizability	37.26
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22F3NO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00