N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide

C20H13FN2OS — CID 694401

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1
InChIInChI=1S/C20H13FN2OS/c21-14-11-9-13(10-12-14)19(24)22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)25-20/h1-12H,(H,22,24)
InChIKeyBATNSVJBIQGZIX-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.35
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide (PubChem CID 694401) has the molecular formula C20H13FN2OS and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide
PubChem CID694401
Molecular FormulaC20H13FN2OS
Molecular Weight348.40 g/mol
Exact Mass348.07
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1
InChIInChI=1S/C20H13FN2OS/c21-14-11-9-13(10-12-14)19(24)22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)25-20/h1-12H,(H,22,24)
InChIKeyBATNSVJBIQGZIX-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
SB-782443
CID 9951636
2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 685913
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
2-Benzoylbenzothiazole
CID 318178
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide (CID 694401) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide is O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide?
The InChIKey is BATNSVJBIQGZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2OS/c21-14-11-9-13(10-12-14)19(24)22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)25-20/h1-12H,(H,22,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide has a molecular weight of 348.40 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 694401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).