[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

C20H15F2NO3 — CID 2625283

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C20H15F2NO3/c21-15-8-9-18(17(22)11-15)23-19(24)12-26-20(25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,23,24)
InChIKeyQTARRHMEFUKXBL-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.84
Rot. Bonds5

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2625283) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2625283
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESO=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(F)cc1F
InChIInChI=1S/C20H15F2NO3/c21-15-8-9-18(17(22)11-15)23-19(24)12-26-20(25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,23,24)
InChIKeyQTARRHMEFUKXBL-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574089
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 3399745
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4801728
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2433645
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732362
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590501
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2625283) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is QTARRHMEFUKXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c21-15-8-9-18(17(22)11-15)23-19(24)12-26-20(25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,23,24).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 355.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2625283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).