ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate

C18H16F3NO3 — CID 19777343

IUPACethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C18H16F3NO3/c1-2-25-18(24)11-22(15-7-5-13(19)6-8-15)17(23)9-12-3-4-14(20)10-16(12)21/h3-8,10H,2,9,11H2,1H3
InChIKeyLRCGJFGJJFGTGL-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.24
Rot. Bonds6

About ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate

ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate (PubChem CID 19777343) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate
PubChem CID19777343
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Nameethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1ccc(F)cc1F)c1ccc(F)cc1
InChIInChI=1S/C18H16F3NO3/c1-2-25-18(24)11-22(15-7-5-13(19)6-8-15)17(23)9-12-3-4-14(20)10-16(12)21/h3-8,10H,2,9,11H2,1H3
InChIKeyLRCGJFGJJFGTGL-UHFFFAOYSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate (CID 19777343) is ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate is CCOC(=O)CN(C(=O)Cc1ccc(F)cc1F)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate?
The InChIKey is LRCGJFGJJFGTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3/c1-2-25-18(24)11-22(15-7-5-13(19)6-8-15)17(23)9-12-3-4-14(20)10-16(12)21/h3-8,10H,2,9,11H2,1H3.
What are the key properties of ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate?
ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate has a molecular weight of 351.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-[2-(2,4-difluorophenyl)acetyl]-4-fluoroanilino)acetate is sourced from PubChem (CID 19777343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).