N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide

C14H7Cl2FN2OS — CID 7192595

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccc(F)cc1
InChIInChI=1S/C14H7Cl2FN2OS/c15-9-5-6-10(16)12-11(9)18-14(21-12)19-13(20)7-1-3-8(17)4-2-7/h1-6H,(H,18,19,20)
InChIKeyWNRJDVIIHKLUKD-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.99
Rot. Bonds2

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide (PubChem CID 7192595) has the molecular formula C14H7Cl2FN2OS and a molecular weight of 341.19 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
PubChem CID7192595
Molecular FormulaC14H7Cl2FN2OS
Molecular Weight341.19 g/mol
Exact Mass339.96
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
SMILESO=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccc(F)cc1
InChIInChI=1S/C14H7Cl2FN2OS/c15-9-5-6-10(16)12-11(9)18-14(21-12)19-13(20)7-1-3-8(17)4-2-7/h1-6H,(H,18,19,20)
InChIKeyWNRJDVIIHKLUKD-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide (CID 7192595) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide is O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccc(F)cc1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
The InChIKey is WNRJDVIIHKLUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2OS/c15-9-5-6-10(16)12-11(9)18-14(21-12)19-13(20)7-1-3-8(17)4-2-7/h1-6H,(H,18,19,20).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide has a molecular weight of 341.19 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 7192595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).