ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate

C18H17F2NO3 — CID 14856952

IUPACethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2NO3/c1-2-24-18(23)12-21(16-9-8-14(19)11-15(16)20)17(22)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3
InChIKeyYZLRDGWXKRFJLN-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.10
Rot. Bonds6

About ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate

ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate (PubChem CID 14856952) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate
PubChem CID14856952
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Nameethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2NO3/c1-2-24-18(23)12-21(16-9-8-14(19)11-15(16)20)17(22)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3
InChIKeyYZLRDGWXKRFJLN-UHFFFAOYSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate?
The IUPAC name of ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate (CID 14856952) is ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate.
What is the SMILES notation for ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate?
The canonical SMILES for ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate is CCOC(=O)CN(C(=O)Cc1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate?
The InChIKey is YZLRDGWXKRFJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-2-24-18(23)12-21(16-9-8-14(19)11-15(16)20)17(22)10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3.
What are the key properties of ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate?
ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate has a molecular weight of 333.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluoro-N-(2-phenylacetyl)anilino)acetate is sourced from PubChem (CID 14856952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).