[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

C20H15ClFNO4 — CID 8732488

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc(Cl)c2ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C20H15ClFNO4/c21-17-8-9-18(16-7-2-1-6-15(16)17)26-12-20(25)27-11-19(24)23-14-5-3-4-13(22)10-14/h1-10H,11-12H2,(H,23,24)
InChIKeySZZZOAGURDAKRI-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.19
Rot. Bonds6

About [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (PubChem CID 8732488) has the molecular formula C20H15ClFNO4 and a molecular weight of 387.79 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
PubChem CID8732488
Molecular FormulaC20H15ClFNO4
Molecular Weight387.79 g/mol
Exact Mass387.07
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc(Cl)c2ccccc12)Nc1cccc(F)c1
InChIInChI=1S/C20H15ClFNO4/c21-17-8-9-18(16-7-2-1-6-15(16)17)26-12-20(25)27-11-19(24)23-14-5-3-4-13(22)10-14/h1-10H,11-12H2,(H,23,24)
InChIKeySZZZOAGURDAKRI-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732362
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 7856125
2-(4-chloronaphthalen-1-yl)oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7916235
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
CID 26000335
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
CID 115951922
[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 41465436
2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8021473
phenacyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732424
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (CID 8732488) is [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is O=C(COC(=O)COc1ccc(Cl)c2ccccc12)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The InChIKey is SZZZOAGURDAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO4/c21-17-8-9-18(16-7-2-1-6-15(16)17)26-12-20(25)27-11-19(24)23-14-5-3-4-13(22)10-14/h1-10H,11-12H2,(H,23,24).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate has a molecular weight of 387.79 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 8732488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).