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

C19H20FNO3 — CID 19777342

IUPACethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(F)c1)c1cccc(C)c1
InChIInChI=1S/C19H20FNO3/c1-3-24-19(23)13-21(17-9-4-6-14(2)10-17)18(22)12-15-7-5-8-16(20)11-15/h4-11H,3,12-13H2,1-2H3
InChIKeyLUERJLQLHYOUSB-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.27
Rot. Bonds6

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

ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate (PubChem CID 19777342) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate
PubChem CID19777342
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Nameethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate
SMILESCCOC(=O)CN(C(=O)Cc1cccc(F)c1)c1cccc(C)c1
InChIInChI=1S/C19H20FNO3/c1-3-24-19(23)13-21(17-9-4-6-14(2)10-17)18(22)12-15-7-5-8-16(20)11-15/h4-11H,3,12-13H2,1-2H3
InChIKeyLUERJLQLHYOUSB-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.27
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-(3-fluorophenyl)acetyl]-3-methylanilino)acetate?
The IUPAC name of ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate (CID 19777342) is ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate?
The canonical SMILES for ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate is CCOC(=O)CN(C(=O)Cc1cccc(F)c1)c1cccc(C)c1.
What is the InChIKey of ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate?
The InChIKey is LUERJLQLHYOUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-24-19(23)13-21(17-9-4-6-14(2)10-17)18(22)12-15-7-5-8-16(20)11-15/h4-11H,3,12-13H2,1-2H3.
What are the key properties of ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate?
ethyl 2-(N-[2-(3-fluorophenyl)acetyl]-3-methylanilino)acetate has a molecular weight of 329.37 g/mol, XLogP of 3.27, 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-(3-fluorophenyl)acetyl]-3-methylanilino)acetate is sourced from PubChem (CID 19777342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).