2-({[3,5-bis(trifluoromethyl)phenyl]formamido}oxy)-N-(4-chlorophenyl)propanamide

2-({[3,5-bis(trifluoromethyl)phenyl]formamido}oxy)-N-(4-chlorophenyl)propanamide

CAS: 285986-88-1

Formula: C18H13ClF6N2O3

SMILES: CC(ONC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)NC1=CC=C(Cl)C=C1

IUPAC: 2-({[3,5-bis(trifluoromethyl)phenyl]formamido}oxy)-N-(4-chlorophenyl)propanamide

InChI: InChI=1/C18H13ClF6N2O3/c1-9(15(28)26-14-4-2-13(19)3-5-14)30-27-16(29)10-6-11(17(20,21)22)8-12(7-10)18(23,24)25/h2-9H,1H3,(H,26,28)(H,27,29)

Composition: C (47.54%), H (2.88%), Cl (7.80%), F (25.07%), N (6.16%), O (10.55%)

Molar Mass: 454.75

Atom Count: 43

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	454.051889
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DSMXVSGJIDFLKP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	96.99
Topological Polar Surface Area	67.43
Polarizability	34.78
Ring Count	2
Rotatable Bond Count	7

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