2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide

C18H18Cl2FN3O3S — CID 46343871

IUPAC2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O
InChIInChI=1S/C18H18Cl2FN3O3S/c1-12-2-4-14(19)8-17(12)22-18(25)11-24-7-6-23(28(24,26)27)10-13-3-5-15(21)9-16(13)20/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,25)
InChIKeyQARQWPIKXNIEED-UHFFFAOYSA-N
MW446.33 g/mol
LogP3.44
Rot. Bonds5

About 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide

2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 46343871) has the molecular formula C18H18Cl2FN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID46343871
Molecular FormulaC18H18Cl2FN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.04
IUPAC Name2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O
InChIInChI=1S/C18H18Cl2FN3O3S/c1-12-2-4-14(19)8-17(12)22-18(25)11-24-7-6-23(28(24,26)27)10-13-3-5-15(21)9-16(13)20/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,25)
InChIKeyQARQWPIKXNIEED-UHFFFAOYSA-N
XLogP3.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[5-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 46343852
2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 20921434
N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 46343867
2-[5-[(2-chlorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 20921388
N-(4-bromophenyl)-2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 46343866
N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
CID 20921409
N-(5-fluoro-2-methylphenyl)-2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53030284
2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 46343878
N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 53030297
1-(azepan-1-yl)-2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanone
CID 46341820
N-(5-chloro-2-methylphenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 86998643
N-(2,5-dimethylphenyl)-2-[6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20921519

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide (CID 46343871) is 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1CCN(Cc2ccc(F)cc2Cl)S1(=O)=O.
What is the InChIKey of 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is QARQWPIKXNIEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FN3O3S/c1-12-2-4-14(19)8-17(12)22-18(25)11-24-7-6-23(28(24,26)27)10-13-3-5-15(21)9-16(13)20/h2-5,8-9H,6-7,10-11H2,1H3,(H,22,25).
What are the key properties of 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide?
2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 446.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 46343871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).