ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate

C18H17F2NO3 — CID 19777326

IUPACethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H17F2NO3/c1-2-24-18(23)12-21(16-8-4-7-15(20)11-16)17(22)10-13-5-3-6-14(19)9-13/h3-9,11H,2,10,12H2,1H3
InChIKeyMUGDAABPVWFDSJ-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.10
Rot. Bonds6

About ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate

ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate (PubChem CID 19777326) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate
PubChem CID19777326
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Nameethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C18H17F2NO3/c1-2-24-18(23)12-21(16-8-4-7-15(20)11-16)17(22)10-13-5-3-6-14(19)9-13/h3-9,11H,2,10,12H2,1H3
InChIKeyMUGDAABPVWFDSJ-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate?
The IUPAC name of ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate (CID 19777326) is ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate.
What is the SMILES notation for ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate?
The canonical SMILES for ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate is CCOC(=O)CN(C(=O)Cc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate?
The InChIKey is MUGDAABPVWFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-2-24-18(23)12-21(16-8-4-7-15(20)11-16)17(22)10-13-5-3-6-14(19)9-13/h3-9,11H,2,10,12H2,1H3.
What are the key properties of ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate?
ethyl 2-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]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-(3-fluoro-N-[2-(3-fluorophenyl)acetyl]anilino)acetate is sourced from PubChem (CID 19777326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).