BDM14471

CAT: 0013-GTR19199454-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19199454-01Size:25 mg

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Description

BDM14471

CAS Number

934618-96-9

Field of Research

Metabolism Research

Smiles

C (\C (NCC1=CC=C (F) C=C1) =O) (=C/C2=CC=CC=C2) /C (NO) =O

Molecular Formula

C17H15FN2O3

Molecular Weight

314.31

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(2Z)-2-Benzylidene-N-[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide

CAS Number	934618-96-9
PubChem CID	16115921
IUPAC Name	(2Z)-2-benzylidene-N-[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide
Molecular Formula	C17H15FN2O3
Molecular Weight	314.31
XLogP	3.3
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	439

SMILES

C1=CC=C(C=C1)/C=C(/C(=O)NCC2=CC=C(C=C2)F)\C(=O)NO

InChI

InChI=1S/C17H15FN2O3/c18-14-8-6-13(7-9-14)11-19-16(21)15(17(22)20-23)10-12-4-2-1-3-5-12/h1-10,23H,11H2,(H,19,21)(H,20,22)/b15-10-

InChIKey

HJPWSHCUMPAXLD-GDNBJRDFSA-N

Chemical Structure

2D Structure

CAS: 934618-96-9

CID: 16115921

Formula: C17H15FN2O3

MW: 314.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.31
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	314.10667051
Monoisotopic Mass	314.10667051
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	439
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T25141-01	BDM14471