ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate

C17H18FNO2 — CID 103715582

IUPACethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
SMILESCCOC(=O)C(Nc1cccc(F)c1C)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-8-5-4-6-9-13)19-15-11-7-10-14(18)12(15)2/h4-11,16,19H,3H2,1-2H3
InChIKeySMJJGMKMAXDYIK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.85
Rot. Bonds5

About ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate

ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate (PubChem CID 103715582) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
PubChem CID103715582
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate
SMILESCCOC(=O)C(Nc1cccc(F)c1C)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-8-5-4-6-9-13)19-15-11-7-10-14(18)12(15)2/h4-11,16,19H,3H2,1-2H3
InChIKeySMJJGMKMAXDYIK-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
methyl 2-(3-fluoro-2-methylanilino)butanoate
CID 79118150
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
3-fluoro-2-methyl-N-(1-phenylpentyl)aniline
CID 63453826
ethyl 2-(2,5-dibromoanilino)-2-phenylacetate
CID 106677188
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266
ethyl 2-(4-methoxyanilino)-2-phenylacetate
CID 13004504
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate?
The IUPAC name of ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate (CID 103715582) is ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate is CCOC(=O)C(Nc1cccc(F)c1C)c1ccccc1.
What is the InChIKey of ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate?
The InChIKey is SMJJGMKMAXDYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-21-17(20)16(13-8-5-4-6-9-13)19-15-11-7-10-14(18)12(15)2/h4-11,16,19H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate?
ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate has a molecular weight of 287.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-2-methylanilino)-2-phenylacetate is sourced from PubChem (CID 103715582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).