[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

C17H15ClFNO3S — CID 7355331

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccccc1F)NCc1ccccc1Cl
InChIInChI=1S/C17H15ClFNO3S/c18-13-6-2-1-5-12(13)9-20-16(21)10-23-17(22)11-24-15-8-4-3-7-14(15)19/h1-8H,9-11H2,(H,20,21)
InChIKeyAWDWUHZRZPJAMI-UHFFFAOYSA-N
MW367.83 g/mol
LogP3.43
Rot. Bonds7

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355331) has the molecular formula C17H15ClFNO3S and a molecular weight of 367.83 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355331
Molecular FormulaC17H15ClFNO3S
Molecular Weight367.83 g/mol
Exact Mass367.04
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccccc1F)NCc1ccccc1Cl
InChIInChI=1S/C17H15ClFNO3S/c18-13-6-2-1-5-12(13)9-20-16(21)10-23-17(22)11-24-15-8-4-3-7-14(15)19/h1-8H,9-11H2,(H,20,21)
InChIKeyAWDWUHZRZPJAMI-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355317
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 34182625
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613260
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355006
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432360
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30471131
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007363
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2555023
[2-(2-ethylanilino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 30390177

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355331) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is O=C(COC(=O)CSc1ccccc1F)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is AWDWUHZRZPJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3S/c18-13-6-2-1-5-12(13)9-20-16(21)10-23-17(22)11-24-15-8-4-3-7-14(15)19/h1-8H,9-11H2,(H,20,21).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 367.83 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).