ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate

C17H18FNO2 — CID 58556946

IUPACethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(C)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-7-5-4-6-8-13)19(2)15-11-9-14(18)10-12-15/h4-12,16H,3H2,1-2H3
InChIKeyCSGYWNGLKWDPJH-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.57
Rot. Bonds5

About ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate

ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate (PubChem CID 58556946) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate
PubChem CID58556946
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(C)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-7-5-4-6-8-13)19(2)15-11-9-14(18)10-12-15/h4-12,16H,3H2,1-2H3
InChIKeyCSGYWNGLKWDPJH-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate?
The IUPAC name of ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate (CID 58556946) is ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate is CCOC(=O)C(c1ccccc1)N(C)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate?
The InChIKey is CSGYWNGLKWDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-7-5-4-6-8-13)19(2)15-11-9-14(18)10-12-15/h4-12,16H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate?
ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate has a molecular weight of 287.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-N-methylanilino)-2-phenylacetate is sourced from PubChem (CID 58556946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).