N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide

C16H12ClFN2O2S — CID 18932396

IUPACN-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc3cc(Cl)c(F)cc3s2)cc1
InChIInChI=1S/C16H12ClFN2O2S/c1-9(21)19-10-2-4-11(5-3-10)22-8-16-20-14-6-12(17)13(18)7-15(14)23-16/h2-7H,8H2,1H3,(H,19,21)
InChIKeyZWAHLDZRMAIFFB-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.63
Rot. Bonds4

About N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide

N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide (PubChem CID 18932396) has the molecular formula C16H12ClFN2O2S and a molecular weight of 350.80 g/mol. Its IUPAC name is N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide
PubChem CID18932396
Molecular FormulaC16H12ClFN2O2S
Molecular Weight350.80 g/mol
Exact Mass350.03
IUPAC NameN-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc3cc(Cl)c(F)cc3s2)cc1
InChIInChI=1S/C16H12ClFN2O2S/c1-9(21)19-10-2-4-11(5-3-10)22-8-16-20-14-6-12(17)13(18)7-15(14)23-16/h2-7H,8H2,1H3,(H,19,21)
InChIKeyZWAHLDZRMAIFFB-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 619665
N-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]propanamide
CID 851643
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
1-[4-(1,3-Benzothiazol-2-ylmethoxy)-3-methylphenyl]-3-(3,5-dichlorophenyl)urea
CID 155558153
2-(2-fluorophenoxy)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
CID 2121814
2-[(4-Fluorophenoxy)methyl]-1,3-benzothiazole
CID 975644
2-[(4-Chlorophenyl)disulfanyl]-6-ethoxy-1,3-benzothiazole
CID 19747074
Unii-Q99988AE6R
CID 17456
1-[4-(1,3-Benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 980457
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 1358809
2-(3-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102301
N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
CID 2103273

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide (CID 18932396) is N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2nc3cc(Cl)c(F)cc3s2)cc1.
What is the InChIKey of N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide?
The InChIKey is ZWAHLDZRMAIFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2S/c1-9(21)19-10-2-4-11(5-3-10)22-8-16-20-14-6-12(17)13(18)7-15(14)23-16/h2-7H,8H2,1H3,(H,19,21).
What are the key properties of N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide?
N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide has a molecular weight of 350.80 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 18932396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).