[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

C20H14ClF2NO4 — CID 8732362

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc(Cl)c2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C20H14ClF2NO4/c21-15-6-8-18(14-4-2-1-3-13(14)15)27-11-20(26)28-10-19(25)24-17-7-5-12(22)9-16(17)23/h1-9H,10-11H2,(H,24,25)
InChIKeyHCSVQCBYBJVKAZ-UHFFFAOYSA-N
MW405.78 g/mol
LogP4.33
Rot. Bonds6

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (PubChem CID 8732362) has the molecular formula C20H14ClF2NO4 and a molecular weight of 405.78 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
PubChem CID8732362
Molecular FormulaC20H14ClF2NO4
Molecular Weight405.78 g/mol
Exact Mass405.06
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESO=C(COC(=O)COc1ccc(Cl)c2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C20H14ClF2NO4/c21-15-6-8-18(14-4-2-1-3-13(14)15)27-11-20(26)28-10-19(25)24-17-7-5-12(22)9-16(17)23/h1-9H,10-11H2,(H,24,25)
InChIKeyHCSVQCBYBJVKAZ-UHFFFAOYSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732488
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234812
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593344
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
N-(2-chlorophenyl)-2-(2,4-difluorophenoxy)acetamide
CID 31854987
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2433678
[2-(2,4-difluoroanilino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 8022343
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588876

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (CID 8732362) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is O=C(COC(=O)COc1ccc(Cl)c2ccccc12)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The InChIKey is HCSVQCBYBJVKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO4/c21-15-6-8-18(14-4-2-1-3-13(14)15)27-11-20(26)28-10-19(25)24-17-7-5-12(22)9-16(17)23/h1-9H,10-11H2,(H,24,25).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate has a molecular weight of 405.78 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 8732362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).