Enzalutamide Impurity 43

CAT: 1299-RM-E261243-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E261243-01Size:10 mg

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CAS Number

1351185-73-3

Synonyms

4- (3- (4-cyano-3- (trifluoromethyl) phenyl) ureido) -2-fluoro-N-methylbenzamide

Molecular Formula

C17H12F4N4O2

Molecular Weight

380.3

Target Alternative Name

Enzalutamide

Product Name Synonym

4- (3- (4-cyano-3- (trifluoromethyl) phenyl) ureido) -2-fluoro-N-methylbenzamide

Chemical Information

4-[4-cyano-3-(trifluoromethyl)-phenylcarbamoylamino]-N-methyl-2-fluorobenzamide

CAS Number	1351185-73-3
PubChem CID	71694800
IUPAC Name	4-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoylamino]-2-fluoro-N-methylbenzamide
Molecular Formula	C17H12F4N4O2
Molecular Weight	380.30
XLogP	2.5
Topological Polar Surface Area	94
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	603

SMILES

CNC(=O)C1=C(C=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)F

InChI

InChI=1S/C17H12F4N4O2/c1-23-15(26)12-5-4-11(7-14(12)18)25-16(27)24-10-3-2-9(8-22)13(6-10)17(19,20)21/h2-7H,1H3,(H,23,26)(H2,24,25,27)

InChIKey

VEZULCRYQHRKCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1351185-73-3

CID: 71694800

Formula: C17H12F4N4O2

MW: 380.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.30
XLogP3	2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	380.08963829
Monoisotopic Mass	380.08963829
Topological Polar Surface Area	94 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	603
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