N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide

C21H15FN2OS — CID 8670777

IUPACN-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C21H15FN2OS/c22-17-10-6-9-16(13-17)20(25)24(14-15-7-2-1-3-8-15)21-23-18-11-4-5-12-19(18)26-21/h1-13H,14H2
InChIKeyVBZNCQOJXIIXQN-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.28
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide

N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide (PubChem CID 8670777) has the molecular formula C21H15FN2OS and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide
PubChem CID8670777
Molecular FormulaC21H15FN2OS
Molecular Weight362.43 g/mol
Exact Mass362.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide
SMILESO=C(c1cccc(F)c1)N(Cc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C21H15FN2OS/c22-17-10-6-9-16(13-17)20(25)24(14-15-7-2-1-3-8-15)21-23-18-11-4-5-12-19(18)26-21/h1-13H,14H2
InChIKeyVBZNCQOJXIIXQN-UHFFFAOYSA-N
XLogP5.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-benzyl-3-bromobenzamide
CID 41109489
N-(1,3-benzothiazol-2-yl)-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 18576650
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3-fluorobenzamide
CID 7294738
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 162380230
N-(1,3-benzothiazol-2-yl)-N-benzyl-4-(dimethylamino)benzamide
CID 8613503
N-(1,3-benzothiazol-2-yl)-N-benzyl-1,3-benzodioxole-5-carboxamide
CID 41106848
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 41110353
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 41110127
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110546
N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41116033
3-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983052
N-benzyl-4-(diethylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110417

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide (CID 8670777) is N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide is O=C(c1cccc(F)c1)N(Cc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide?
The InChIKey is VBZNCQOJXIIXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2OS/c22-17-10-6-9-16(13-17)20(25)24(14-15-7-2-1-3-8-15)21-23-18-11-4-5-12-19(18)26-21/h1-13H,14H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide?
N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide has a molecular weight of 362.43 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-benzyl-3-fluorobenzamide is sourced from PubChem (CID 8670777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).