2-(4-formyl-2-iodo-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide

2-(4-formyl-2-iodo-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide

CAS: 445005-98-1

Formula: C17H16INO4

SMILES: COC1=CC(C=O)=CC(I)=C1OCC(=O)NC1=CC=C(C)C=C1

IUPAC: 2-(4-formyl-2-iodo-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide

InChI: InChI=1S/C17H16INO4/c1-11-3-5-13(6-4-11)19-16(21)10-23-17-14(18)7-12(9-20)8-15(17)22-2/h3-9H,10H2,1-2H3,(H,19,21)

Composition: C (48.02%), H (3.79%), I (29.84%), N (3.29%), O (15.05%)

Molar Mass: 425.222

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	425.0124
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YECMTRMDGTZJMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.33
Topological Polar Surface Area	64.63
Polarizability	36.83
Ring Count	2
Rotatable Bond Count	6

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