[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

C14H11ClFNO3S — CID 2432435

IUPAC[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClFNO3S/c15-11-6-10(16)1-2-12(11)17-13(18)7-20-14(19)5-9-3-4-21-8-9/h1-4,6,8H,5,7H2,(H,17,18)
InChIKeyJGXPNCBETHZPPM-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.27
Rot. Bonds5

About [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2432435) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2432435
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H11ClFNO3S/c15-11-6-10(16)1-2-12(11)17-13(18)7-20-14(19)5-9-3-4-21-8-9/h1-4,6,8H,5,7H2,(H,17,18)
InChIKeyJGXPNCBETHZPPM-UHFFFAOYSA-N
XLogP3.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2078588
2-[(2-Chlorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2337009
2-Oxo-2-(phenylamino)ethyl thiophen-3-ylacetate
CID 2338161
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-thiophen-2-ylacetate
CID 2352753
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2379715
2-[(4-Bromo-2-fluorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2466700
[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2482985
[2-(2-Chloroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 724478
2-[(3-Fluorophenyl)amino]-2-oxoethyl thiophen-3-ylacetate
CID 2082796
[2-(2-Methylsulfanylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2355399
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2436100
2-[(2-Fluorophenyl)amino]-2-oxoethyl thiophen-2-ylacetate
CID 2341435

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2432435) is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)Nc1ccc(F)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is JGXPNCBETHZPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c15-11-6-10(16)1-2-12(11)17-13(18)7-20-14(19)5-9-3-4-21-8-9/h1-4,6,8H,5,7H2,(H,17,18).
What are the key properties of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 327.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2432435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).