N-Cyclohexyl-3-fluorobenzamide

CAT: 0127-PC1003910-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-PC1003910-01Size:25 g

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CAS Number

2267-94-9

MDL Number

MFCD00454568

Purity

95%

Smiles

O=C(NC1CCCCC1)C2=CC=CC(F)=C2

Chemical Information

N-Cyclohexyl 3-fluorobenzamide

CAS Number	2267-94-9
PubChem CID	962589
IUPAC Name	N-cyclohexyl-3-fluorobenzamide
Molecular Formula	C13H16FNO
Molecular Weight	221.27
XLogP	3.1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

C1CCC(CC1)NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C13H16FNO/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)

InChIKey

NXPPOGYXWKNMKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2267-94-9

CID: 962589

Formula: C13H16FNO

MW: 221.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.27
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	221.121592296
Monoisotopic Mass	221.121592296
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
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

Catalog	Name
PC1026717-01	N-cyclohexyl-2-fluorobenzamide
PC1010313-01	3-Bromo-N-cyclohexyl-5-fluorobenzamide
PC1023009-01	2,3-Dichloro-N-cyclohexyl-6-fluorobenzamide
PC8082	2-Bromo-N-cyclohexyl-5-fluorobenzamide
PC1024623-01	3-bromo-6-chloro-N-cyclohexyl-2-fluorobenzamide
PC1016444-01	4-Bromo-3-chloro-N-cyclohexyl-2-fluorobenzamide
PC1018964-01	2,4-Dibromo-N-cyclohexyl-5-fluorobenzamide
PC1017574-01	2,4-Dibromo-N-cyclohexyl-6-fluorobenzamide
PC901483-01	N-Methyl 3-fluorobenzamide
PC1002132-01	N-Benzyl-3-fluorobenzamide

Catalog	Name
458534-01	N-Cyclohexyl 3-fluorobenzamide
458529-01	N-Cyclohexyl 3-bromo-4-fluorobenzamide
458526-01	N-Cyclohexyl 2-bromo-5-fluorobenzamide
sc-295687A	N-Cyclohexyl 4-borono-2-fluorobenzamide
459344-01	N-Methyl 3-fluorobenzamide
458922-01	N-Ethyl 3-fluorobenzamide
458153-01	N-Benzyl-3-fluorobenzamide
459228-01	N-Isopropyl 3-fluorobenzamide
sc-329224	N- (3-Acetylphenyl) -3-fluorobenzamide
JDB64730-01	N- (3-Cyanophenyl) -2-fluorobenzamide