Clanfenur

CAT: 0013-GTR19153825-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19153825-02Size:25 mg

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Description

Clanfenur is a substituted benzoylphenylurea and an analogue of the pesticide diflubenzuron with potential antineoplastic activity.

CAS Number

51213-99-1

Purity

>98%

Smiles

CN (C) C1=C (C (=CC=C1) F) C (=O) NC (=O) NC2=CC=C (C=C2) Cl

Molecular Formula

C5H6N2O2S

Molecular Weight

158.17834

Notes

For research use only.

Chemical Information

Clanfenur

Clanfenur is a small molecule drug. Clanfenur has a monoisotopic molecular weight of 335.08 Da.

CAS Number	51213-99-1
PubChem CID	68684
IUPAC Name	N-[(4-chlorophenyl)carbamoyl]-2-(dimethylamino)-6-fluorobenzamide
Molecular Formula	C16H15ClFN3O2
Molecular Weight	335.76
XLogP	3.9
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	428

SMILES

CN(C)C1=C(C(=CC=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClFN3O2/c1-21(2)13-5-3-4-12(18)14(13)15(22)20-16(23)19-11-8-6-10(17)7-9-11/h3-9H,1-2H3,(H2,19,20,22,23)

InChIKey

SRLPZQAEBMZCIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51213-99-1

CID: 68684

Formula: C16H15ClFN3O2

MW: 335.76

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	335.76
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	335.0836826
Monoisotopic Mass	335.0836826
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	428
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