PF-03654746 50mg

CAT: 0628-A21429-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A21429-50Size:50 mg

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CAS Number

935840-31-6

Chemical Information

N-ethyl-3-fluoro-3-(3-fluoro-4-(pyrrolidinylmethyl)phenyl)cyclobutanecarboxamide

PF-03654746 has been investigated for the treatment of Narcolepsy, Schizophrenia, Tourette's Syndrome, and Excessive Daytime Sleepiness.

CAS Number	935840-31-6
PubChem CID	16119086
IUPAC Name	N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
Molecular Formula	C18H24F2N2O
Molecular Weight	322.4
XLogP	2.5
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	419

SMILES

CCNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F

InChI

InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)

InChIKey

SXMBKHYDZOCBMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 935840-31-6

CID: 16119086

Formula: C18H24F2N2O

MW: 322.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.4
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	322.18566972
Monoisotopic Mass	322.18566972
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	419
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