2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide

C16H15ClFN3O4S — CID 122244004

IUPAC2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide
SMILESCN1c2cc(F)c(NC(=O)COc3ccc(Cl)cc3)cc2N(C)S1(=O)=O
InChIInChI=1S/C16H15ClFN3O4S/c1-20-14-7-12(18)13(8-15(14)21(2)26(20,23)24)19-16(22)9-25-11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyRKUQQDXYOYEMFQ-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide

2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide (PubChem CID 122244004) has the molecular formula C16H15ClFN3O4S and a molecular weight of 399.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide
PubChem CID122244004
Molecular FormulaC16H15ClFN3O4S
Molecular Weight399.83 g/mol
Exact Mass399.05
IUPAC Name2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide
SMILESCN1c2cc(F)c(NC(=O)COc3ccc(Cl)cc3)cc2N(C)S1(=O)=O
InChIInChI=1S/C16H15ClFN3O4S/c1-20-14-7-12(18)13(8-15(14)21(2)26(20,23)24)19-16(22)9-25-11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyRKUQQDXYOYEMFQ-UHFFFAOYSA-N
XLogP2.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)-3,3-diphenylpropanamide
CID 122244006
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
2-(4-aminophenoxy)-N-(2,4,5-trifluorophenyl)acetamide
CID 62816214
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide (CID 122244004) is 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide is CN1c2cc(F)c(NC(=O)COc3ccc(Cl)cc3)cc2N(C)S1(=O)=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide?
The InChIKey is RKUQQDXYOYEMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O4S/c1-20-14-7-12(18)13(8-15(14)21(2)26(20,23)24)19-16(22)9-25-11-5-3-10(17)4-6-11/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide?
2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide has a molecular weight of 399.83 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(5-fluoro-1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-6-yl)acetamide is sourced from PubChem (CID 122244004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).