methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate

C17H18FNO2 — CID 60991285

IUPACmethyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
SMILESCCc1ccc(C(Nc2ccc(F)cc2)C(=O)OC)cc1
InChIInChI=1S/C17H18FNO2/c1-3-12-4-6-13(7-5-12)16(17(20)21-2)19-15-10-8-14(18)9-11-15/h4-11,16,19H,3H2,1-2H3
InChIKeyVWVRQSHYHKODCK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.71
Rot. Bonds5

About methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate

methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate (PubChem CID 60991285) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
PubChem CID60991285
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Namemethyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
SMILESCCc1ccc(C(Nc2ccc(F)cc2)C(=O)OC)cc1
InChIInChI=1S/C17H18FNO2/c1-3-12-4-6-13(7-5-12)16(17(20)21-2)19-15-10-8-14(18)9-11-15/h4-11,16,19H,3H2,1-2H3
InChIKeyVWVRQSHYHKODCK-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
N-cyclopropyl-2-(4-ethylanilino)-2-(4-fluorophenyl)acetamide
CID 42931280
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
tert-butyl (2R)-2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 102495994
methyl 2-(4-fluorophenyl)-2-(3-methylanilino)acetate
CID 60993493
2-(4-fluorophenyl)-2-(4-pentylanilino)acetamide
CID 78836194
methyl 2-(3-bromo-4-chlorophenyl)-2-(4-fluoroanilino)acetate
CID 83233258
(2S)-2-(4-ethylanilino)-2-phenylacetamide
CID 33403571
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate?
The IUPAC name of methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate (CID 60991285) is methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate.
What is the SMILES notation for methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate?
The canonical SMILES for methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate is CCc1ccc(C(Nc2ccc(F)cc2)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate?
The InChIKey is VWVRQSHYHKODCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-12-4-6-13(7-5-12)16(17(20)21-2)19-15-10-8-14(18)9-11-15/h4-11,16,19H,3H2,1-2H3.
What are the key properties of methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate?
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate has a molecular weight of 287.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate is sourced from PubChem (CID 60991285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).