ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate

C16H15F2NO2 — CID 60992471

IUPACethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-16(20)15(13-5-3-4-6-14(13)18)19-12-9-7-11(17)8-10-12/h3-10,15,19H,2H2,1H3
InChIKeyODLOAJLJTGCFOV-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.68
Rot. Bonds5

About ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate

ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate (PubChem CID 60992471) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
PubChem CID60992471
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-16(20)15(13-5-3-4-6-14(13)18)19-12-9-7-11(17)8-10-12/h3-10,15,19H,2H2,1H3
InChIKeyODLOAJLJTGCFOV-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513
ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate
CID 60993848
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822527
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
CID 104711228
ethyl 2-(4-fluoroanilino)-3,3-dimethylbutanoate
CID 61325169
ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 138983171
2-anilino-2-(2-fluorophenyl)acetyl chloride
CID 142788298

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate?
The IUPAC name of ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate (CID 60992471) is ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate is CCOC(=O)C(Nc1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate?
The InChIKey is ODLOAJLJTGCFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-21-16(20)15(13-5-3-4-6-14(13)18)19-12-9-7-11(17)8-10-12/h3-10,15,19H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate?
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate has a molecular weight of 291.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 60992471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).