YF-2

CAT: 0926-LCC42389-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-LCC42389-03Size:100 mg

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CAS Number

1311423-89-8

MDL Number

MFCD22665763

Smiles

CCOC1=C (C (=CC=C1) OCCN (C) C) C (=O) NC2=CC (=C (C=C2) Cl) C (F) (F) F

Molecular Formula

C20H22ClF3N2O3

Molecular Weight

430.85 g/mol

Controlled

Chemical Information

N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-(2-(dimethylamino)ethoxy)-6-ethoxybenzamide

CAS Number	1311423-89-8
PubChem CID	53230697
IUPAC Name	N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]-6-ethoxybenzamide
Molecular Formula	C20H22ClF3N2O3
Molecular Weight	430.8
XLogP	4.6
Topological Polar Surface Area	50.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	29
Formal Charge	0
Complexity	522

SMILES

CCOC1=C(C(=CC=C1)OCCN(C)C)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C20H22ClF3N2O3/c1-4-28-16-6-5-7-17(29-11-10-26(2)3)18(16)19(27)25-13-8-9-15(21)14(12-13)20(22,23)24/h5-9,12H,4,10-11H2,1-3H3,(H,25,27)

InChIKey

TZHLDFAKTWDTOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1311423-89-8

CID: 53230697

Formula: C20H22ClF3N2O3

MW: 430.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	430.8
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	430.1271047
Monoisotopic Mass	430.1271047
Topological Polar Surface Area	50.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	522
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

Catalog	Name
AAA40737	2,2,2-Trifluoro-N- (2,2,2-trifluoroethyl) acetamide
WYB72229-01	2,2,2-Trifluoroethyl N- (2,2,2-trifluoroethyl) carbamate
IXB41367-01	(2,2-Dimethylpropyl) (2,2,2-trifluoroethyl) amine
FB15824-01	2,2-Bis (hydroxymethyl) -2,2',2''-nitrilotriethanol
AAC81537-01	2- (2,2,2-Trifluoroethoxy) propanenitrile
IGA88442-01	2- (2,2,2-Trifluoroethyl) benzaldehyde
HCA63104-01	2- (2,2,2-Trifluoroethyl) aniline
KJD25151-01	2-Ethynylbicyclo[2.2.2]octane
AAA46637	2,2,2-Triphenylacetophenone
FT80448-01	2,2,2-Trifluoroethanesulfonamide