2-(5-bromo-4-formyl-2-methoxyphenoxy)-N,N-diphenylacetamide

2-(5-bromo-4-formyl-2-methoxyphenoxy)-N,N-diphenylacetamide

CAS: 486994-18-7

Formula: C22H18BrNO4

SMILES: COC1=CC(C=O)=C(Br)C=C1OCC(=O)N(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 2-(5-bromo-4-formyl-2-methoxyphenoxy)-N,N-diphenylacetamide

InChI: InChI=1S/C22H18BrNO4/c1-27-20-12-16(14-25)19(23)13-21(20)28-15-22(26)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,15H2,1H3

Composition: C (60.02%), H (4.12%), Br (18.15%), N (3.18%), O (14.53%)

Molar Mass: 440.293

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	439.041921
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JXJWDMZORCFHGL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.45
Topological Polar Surface Area	55.84
Polarizability	42.21
Ring Count	3
Rotatable Bond Count	7

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