[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate

C22H17ClFNO4 — CID 8919380

IUPAC[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C22H17ClFNO4/c23-16-10-11-18(24)19(12-16)25-21(26)13-29-22(27)14-28-20-9-5-4-8-17(20)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,26)
InChIKeyPVEYCABZFXVCHV-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.71
Rot. Bonds7

About [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate (PubChem CID 8919380) has the molecular formula C22H17ClFNO4 and a molecular weight of 413.83 g/mol. Its IUPAC name is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
PubChem CID8919380
Molecular FormulaC22H17ClFNO4
Molecular Weight413.83 g/mol
Exact Mass413.08
IUPAC Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C22H17ClFNO4/c23-16-10-11-18(24)19(12-16)25-21(26)13-29-22(27)14-28-20-9-5-4-8-17(20)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,26)
InChIKeyPVEYCABZFXVCHV-UHFFFAOYSA-N
XLogP4.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920117
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 42963010
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140459
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2506722
[2-(2-nitroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920193
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920045
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7922570

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate (CID 8919380) is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The canonical SMILES for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate is O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1F.
What is the InChIKey of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The InChIKey is PVEYCABZFXVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO4/c23-16-10-11-18(24)19(12-16)25-21(26)13-29-22(27)14-28-20-9-5-4-8-17(20)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,26).
What are the key properties of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate has a molecular weight of 413.83 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 8919380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).