Daa-1106

CAT: 0127-PC1007768-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC1007768-02Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

220551-92-8

Purity

98%

Smiles

CC(N(CC1=CC(OC)=CC=C1OC)C2=CC(F)=CC=C2OC3=CC=CC=C3)=O

Chemical Information

N-(2,5-dimethoxybenzyl)-N-(5-fluoro-2-phenoxyphenyl)acetamide

CAS Number	220551-92-8
PubChem CID	10430788
IUPAC Name	N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
Molecular Formula	C23H22FNO4
Molecular Weight	395.4
XLogP	4.3
Topological Polar Surface Area	48
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	513

SMILES

CC(=O)N(CC1=C(C=CC(=C1)OC)OC)C2=C(C=CC(=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3

InChIKey

DCRZYADKQRHHSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220551-92-8

CID: 10430788

Formula: C23H22FNO4

MW: 395.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	395.4
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	395.15328635
Monoisotopic Mass	395.15328635
Topological Polar Surface Area	48 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	513
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes