2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide

C19H15ClFN3O3S — CID 24598882

IUPAC2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
SMILESCC(=O)N(c1nc(COc2ccc(Cl)cc2C(N)=O)cs1)c1ccccc1F
InChIInChI=1S/C19H15ClFN3O3S/c1-11(25)24(16-5-3-2-4-15(16)21)19-23-13(10-28-19)9-27-17-7-6-12(20)8-14(17)18(22)26/h2-8,10H,9H2,1H3,(H2,22,26)
InChIKeyVPHWAKDFTIFKNF-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.30
Rot. Bonds6

About 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide

2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide (PubChem CID 24598882) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
PubChem CID24598882
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC Name2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
SMILESCC(=O)N(c1nc(COc2ccc(Cl)cc2C(N)=O)cs1)c1ccccc1F
InChIInChI=1S/C19H15ClFN3O3S/c1-11(25)24(16-5-3-2-4-15(16)21)19-23-13(10-28-19)9-27-17-7-6-12(20)8-14(17)18(22)26/h2-8,10H,9H2,1H3,(H2,22,26)
InChIKeyVPHWAKDFTIFKNF-UHFFFAOYSA-N
XLogP4.30
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The IUPAC name of 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide (CID 24598882) is 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide is CC(=O)N(c1nc(COc2ccc(Cl)cc2C(N)=O)cs1)c1ccccc1F.
What is the InChIKey of 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The InChIKey is VPHWAKDFTIFKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c1-11(25)24(16-5-3-2-4-15(16)21)19-23-13(10-28-19)9-27-17-7-6-12(20)8-14(17)18(22)26/h2-8,10H,9H2,1H3,(H2,22,26).
What are the key properties of 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide has a molecular weight of 419.87 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide is sourced from PubChem (CID 24598882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).