[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C14H12ClFN2O4S — CID 24687632

IUPAC[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O4S/c1-8-7-23-14(21)18(8)5-13(20)22-6-12(19)17-11-3-2-9(15)4-10(11)16/h2-4,7H,5-6H2,1H3,(H,17,19)
InChIKeyPKHNUOZTZGRZFP-UHFFFAOYSA-N
MW358.78 g/mol
LogP2.19
Rot. Bonds5

About [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 24687632) has the molecular formula C14H12ClFN2O4S and a molecular weight of 358.78 g/mol. Its IUPAC name is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID24687632
Molecular FormulaC14H12ClFN2O4S
Molecular Weight358.78 g/mol
Exact Mass358.02
IUPAC Name[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O4S/c1-8-7-23-14(21)18(8)5-13(20)22-6-12(19)17-11-3-2-9(15)4-10(11)16/h2-4,7H,5-6H2,1H3,(H,17,19)
InChIKeyPKHNUOZTZGRZFP-UHFFFAOYSA-N
XLogP2.19
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate with MolForge

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Related Compounds

[2-(4-Chloroanilino)-2-oxoethyl] 2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetate
CID 2612967
[2-(5-Chloro-2-nitroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687325
[2-(3,4-Difluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24980306
N-(4-chloro-2-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 7597950
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 8776702
Ethyl [(4-chlorophenyl)amino](oxo)acetate
CID 79380
[1-Oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24687633
Dimethyl 3-[(4-chloroanilino)carbonyl]-1,3-thiazolane-2,4-dicarboxylate
CID 3796378
[2-(2-Chloro-5-nitroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 24982025
[2-(3-Chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 8776699
(2-Anilino-2-oxoethyl) 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9112198
[1-(3-Chloroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16256231

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 24687632) is [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is PKHNUOZTZGRZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O4S/c1-8-7-23-14(21)18(8)5-13(20)22-6-12(19)17-11-3-2-9(15)4-10(11)16/h2-4,7H,5-6H2,1H3,(H,17,19).
What are the key properties of [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 358.78 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 24687632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).