N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide

C14H8ClFN2OS — CID 698515

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1c(F)cccc1Cl
InChIInChI=1S/C14H8ClFN2OS/c15-8-4-3-5-9(16)12(8)13(19)18-14-17-10-6-1-2-7-11(10)20-14/h1-7H,(H,17,18,19)
InChIKeyDYGYGSRIVNBSKX-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.34
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide

N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide (PubChem CID 698515) has the molecular formula C14H8ClFN2OS and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide
PubChem CID698515
Molecular FormulaC14H8ClFN2OS
Molecular Weight306.75 g/mol
Exact Mass306.00
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1c(F)cccc1Cl
InChIInChI=1S/C14H8ClFN2OS/c15-8-4-3-5-9(16)12(8)13(19)18-14-17-10-6-1-2-7-11(10)20-14/h1-7H,(H,17,18,19)
InChIKeyDYGYGSRIVNBSKX-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide (CID 698515) is N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide is O=C(Nc1nc2ccccc2s1)c1c(F)cccc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide?
The InChIKey is DYGYGSRIVNBSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2OS/c15-8-4-3-5-9(16)12(8)13(19)18-14-17-10-6-1-2-7-11(10)20-14/h1-7H,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide has a molecular weight of 306.75 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 698515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).