3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide

C15H9ClF2N2O2S — CID 46237138

IUPAC3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3c(Cl)cccc3s2)c1F
InChIInChI=1S/C15H9ClF2N2O2S/c16-7-2-1-3-10-14(7)20-11(23-10)6-22-9-5-4-8(17)12(13(9)18)15(19)21/h1-5H,6H2,(H2,19,21)
InChIKeyDJFNHBOOMSGIHZ-UHFFFAOYSA-N
MW354.77 g/mol
LogP3.91
Rot. Bonds4

About 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide

3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide (PubChem CID 46237138) has the molecular formula C15H9ClF2N2O2S and a molecular weight of 354.77 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
PubChem CID46237138
Molecular FormulaC15H9ClF2N2O2S
Molecular Weight354.77 g/mol
Exact Mass354.00
IUPAC Name3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3c(Cl)cccc3s2)c1F
InChIInChI=1S/C15H9ClF2N2O2S/c16-7-2-1-3-10-14(7)20-11(23-10)6-22-9-5-4-8(17)12(13(9)18)15(19)21/h1-5H,6H2,(H2,19,21)
InChIKeyDJFNHBOOMSGIHZ-UHFFFAOYSA-N
XLogP3.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide (CID 46237138) is 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide is NC(=O)c1c(F)ccc(OCc2nc3c(Cl)cccc3s2)c1F.
What is the InChIKey of 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide?
The InChIKey is DJFNHBOOMSGIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2S/c16-7-2-1-3-10-14(7)20-11(23-10)6-22-9-5-4-8(17)12(13(9)18)15(19)21/h1-5H,6H2,(H2,19,21).
What are the key properties of 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide?
3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide has a molecular weight of 354.77 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 46237138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).