[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate

C22H17F2NO4 — CID 42963010

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H17F2NO4/c23-18-11-10-16(12-19(18)24)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)
InChIKeyRDHZWESSDCTITM-UHFFFAOYSA-N
MW397.38 g/mol
LogP4.19
Rot. Bonds7

About [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate (PubChem CID 42963010) has the molecular formula C22H17F2NO4 and a molecular weight of 397.38 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
PubChem CID42963010
Molecular FormulaC22H17F2NO4
Molecular Weight397.38 g/mol
Exact Mass397.11
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C22H17F2NO4/c23-18-11-10-16(12-19(18)24)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)
InChIKeyRDHZWESSDCTITM-UHFFFAOYSA-N
XLogP4.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919380
[2-(4-methylanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920045
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920117
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
N-(4-fluoro-3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 9212015
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 2335239
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 42438100
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2583455
[2-(2-nitroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8920193

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate (CID 42963010) is [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate is O=C(COC(=O)COc1ccccc1-c1ccccc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The InChIKey is RDHZWESSDCTITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO4/c23-18-11-10-16(12-19(18)24)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-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate has a molecular weight of 397.38 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 42963010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).