N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide

C21H14F2N2OS — CID 41110546

IUPACN-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(c1ccccc1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C21H14F2N2OS/c22-16-11-17(23)19-18(12-16)27-21(24-19)25(13-14-7-3-1-4-8-14)20(26)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyOPGCPCDPNZAQAO-UHFFFAOYSA-N
MW380.42 g/mol
LogP5.42
Rot. Bonds4

About N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide

N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41110546) has the molecular formula C21H14F2N2OS and a molecular weight of 380.42 g/mol. Its IUPAC name is N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID41110546
Molecular FormulaC21H14F2N2OS
Molecular Weight380.42 g/mol
Exact Mass380.08
IUPAC NameN-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(c1ccccc1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C21H14F2N2OS/c22-16-11-17(23)19-18(12-16)27-21(24-19)25(13-14-7-3-1-4-8-14)20(26)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeyOPGCPCDPNZAQAO-UHFFFAOYSA-N
XLogP5.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 18572652
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41110622
N-benzyl-2-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110559
N-benzyl-4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110554
N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 41110574
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110601
4-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056164
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-ethylpyrazole-3-carboxamide
CID 42111295
4-tert-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40996218
4-benzoyl-N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 27637974
4-[benzyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43964408
N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 41110353

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide (CID 41110546) is N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide is O=C(c1ccccc1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is OPGCPCDPNZAQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2OS/c22-16-11-17(23)19-18(12-16)27-21(24-19)25(13-14-7-3-1-4-8-14)20(26)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide?
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 380.42 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41110546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).