methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate

C16H16FNO2 — CID 60991774

IUPACmethyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
SMILESCOC(=O)C(Nc1ccc(C)cc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c1-11-6-8-14(9-7-11)18-15(16(19)20-2)12-4-3-5-13(17)10-12/h3-10,15,18H,1-2H3
InChIKeySSZBDFXBHXDGGI-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.46
Rot. Bonds4

About methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate

methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate (PubChem CID 60991774) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
PubChem CID60991774
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namemethyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
SMILESCOC(=O)C(Nc1ccc(C)cc1)c1cccc(F)c1
InChIInChI=1S/C16H16FNO2/c1-11-6-8-14(9-7-11)18-15(16(19)20-2)12-4-3-5-13(17)10-12/h3-10,15,18H,1-2H3
InChIKeySSZBDFXBHXDGGI-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-(2,6-difluorophenyl)-2-(4-methylanilino)acetate
CID 60991906
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
methyl 2-(4-methylanilino)-2-(4-methylsulfanylphenyl)acetate
CID 60991491
methyl 2-(4-bromophenyl)-2-(3-fluoroanilino)acetate
CID 60993451
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate?
The IUPAC name of methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate (CID 60991774) is methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate is COC(=O)C(Nc1ccc(C)cc1)c1cccc(F)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate?
The InChIKey is SSZBDFXBHXDGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-6-8-14(9-7-11)18-15(16(19)20-2)12-4-3-5-13(17)10-12/h3-10,15,18H,1-2H3.
What are the key properties of methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate?
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate has a molecular weight of 273.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate is sourced from PubChem (CID 60991774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).