N-(5-amino-2-fluorophenyl)-2-(2,4-di-tert-butylphenoxy)acetamide

N-(5-amino-2-fluorophenyl)-2-(2,4-di-tert-butylphenoxy)acetamide

CAS: 1020053-96-6

Formula: C22H29FN2O2

SMILES: CC(C)(C)C1=CC(=C(OCC(=O)NC2=C(F)C=CC(N)=C2)C=C1)C(C)(C)C

IUPAC: N-(5-amino-2-fluorophenyl)-2-(2,4-di-tert-butylphenoxy)acetamide

InChI: InChI=1S/C22H29FN2O2/c1-21(2,3)14-7-10-19(16(11-14)22(4,5)6)27-13-20(26)25-18-12-15(24)8-9-17(18)23/h7-12H,13,24H2,1-6H3,(H,25,26)

Composition: C (70.94%), H (7.85%), F (5.10%), N (7.52%), O (8.59%)

Molar Mass: 372.484

Atom Count: 56

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	372.221306345
Formal Charge	0
FSP3	0.41
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JXMGYHKKBJWARS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.13
Topological Polar Surface Area	64.35
Polarizability	40.84
Ring Count	2
Rotatable Bond Count	6

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