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SKLB610 10mg

CAT: 0628-A13465-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A13465-10Size:10 mg
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CAS Number
1125780-41-7

Chemical Information

N-methyl-4-(4-(3-(trifluoromethyl)benzamido)phenoxy)picolinamide

structure in first source

CAS Number1125780-41-7
PubChem CID25230662
IUPAC NameN-methyl-4-[4-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]pyridine-2-carboxamide
Molecular FormulaC21H16F3N3O3
Molecular Weight415.4
XLogP3.7
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity594
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C21H16F3N3O3/c1-25-20(29)18-12-17(9-10-26-18)30-16-7-5-15(6-8-16)27-19(28)13-3-2-4-14(11-13)21(22,23)24/h2-12H,1H3,(H,25,29)(H,27,28)
InChIKey
WACDHHMEVMSODJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-4-(4-(3-(trifluoromethyl)benzamido)phenoxy)picolinamide
CAS: 1125780-41-7
CID: 25230662
Formula: C21H16F3N3O3
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass415.11437587
Monoisotopic Mass415.11437587
Topological Polar Surface Area80.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes