ethyl 2-anilino-2-(2,3-difluorophenyl)acetate

C16H15F2NO2 — CID 63668266

IUPACethyl 2-anilino-2-(2,3-difluorophenyl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-16(20)15(19-11-7-4-3-5-8-11)12-9-6-10-13(17)14(12)18/h3-10,15,19H,2H2,1H3
InChIKeyDUOHDOINMSSXHW-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.68
Rot. Bonds5

About ethyl 2-anilino-2-(2,3-difluorophenyl)acetate

ethyl 2-anilino-2-(2,3-difluorophenyl)acetate (PubChem CID 63668266) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 2-anilino-2-(2,3-difluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-anilino-2-(2,3-difluorophenyl)acetate
PubChem CID63668266
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 2-anilino-2-(2,3-difluorophenyl)acetate
SMILESCCOC(=O)C(Nc1ccccc1)c1cccc(F)c1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-16(20)15(19-11-7-4-3-5-8-11)12-9-6-10-13(17)14(12)18/h3-10,15,19H,2H2,1H3
InChIKeyDUOHDOINMSSXHW-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

Analyze ethyl 2-anilino-2-(2,3-difluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453
ethyl (3S)-3-amino-3-(2,3-difluorophenyl)-2-fluoropropanoate;hydrochloride
CID 171247764
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
ethyl 2-(4-bromoanilino)-2-(2-methylphenyl)acetate
CID 60993848
methyl 2-anilino-2-(2,6-difluorophenyl)acetate
CID 60991084
ethyl 2-anilino-2-(4-bromophenyl)acetate
CID 60992186
ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
CID 103715582
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
3-(2,3-difluorophenyl)-3-(propylamino)propanoic acid
CID 65234358
ethyl 2-anilino-2-(4-methoxyphenyl)acetate
CID 60992586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-2-(2,3-difluorophenyl)acetate?
The IUPAC name of ethyl 2-anilino-2-(2,3-difluorophenyl)acetate (CID 63668266) is ethyl 2-anilino-2-(2,3-difluorophenyl)acetate.
What is the SMILES notation for ethyl 2-anilino-2-(2,3-difluorophenyl)acetate?
The canonical SMILES for ethyl 2-anilino-2-(2,3-difluorophenyl)acetate is CCOC(=O)C(Nc1ccccc1)c1cccc(F)c1F.
What is the InChIKey of ethyl 2-anilino-2-(2,3-difluorophenyl)acetate?
The InChIKey is DUOHDOINMSSXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-21-16(20)15(19-11-7-4-3-5-8-11)12-9-6-10-13(17)14(12)18/h3-10,15,19H,2H2,1H3.
What are the key properties of ethyl 2-anilino-2-(2,3-difluorophenyl)acetate?
ethyl 2-anilino-2-(2,3-difluorophenyl)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-anilino-2-(2,3-difluorophenyl)acetate is sourced from PubChem (CID 63668266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).