2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide

C21H14F2N2O2S — CID 46237269

IUPAC2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3c(-c4ccccc4)cccc3s2)c1F
InChIInChI=1S/C21H14F2N2O2S/c22-14-9-10-15(19(23)18(14)21(24)26)27-11-17-25-20-13(7-4-8-16(20)28-17)12-5-2-1-3-6-12/h1-10H,11H2,(H2,24,26)
InChIKeyMIVWIAXIDYNCQF-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.92
Rot. Bonds5

About 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide

2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide (PubChem CID 46237269) has the molecular formula C21H14F2N2O2S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide
PubChem CID46237269
Molecular FormulaC21H14F2N2O2S
Molecular Weight396.42 g/mol
Exact Mass396.07
IUPAC Name2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3c(-c4ccccc4)cccc3s2)c1F
InChIInChI=1S/C21H14F2N2O2S/c22-14-9-10-15(19(23)18(14)21(24)26)27-11-17-25-20-13(7-4-8-16(20)28-17)12-5-2-1-3-6-12/h1-10H,11H2,(H2,24,26)
InChIKeyMIVWIAXIDYNCQF-UHFFFAOYSA-N
XLogP4.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide (CID 46237269) is 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2nc3c(-c4ccccc4)cccc3s2)c1F.
What is the InChIKey of 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
The InChIKey is MIVWIAXIDYNCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2S/c22-14-9-10-15(19(23)18(14)21(24)26)27-11-17-25-20-13(7-4-8-16(20)28-17)12-5-2-1-3-6-12/h1-10H,11H2,(H2,24,26).
What are the key properties of 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide?
2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide has a molecular weight of 396.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(4-phenyl-1,3-benzothiazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 46237269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).