ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate

C16H17FN2O2 — CID 104822527

IUPACethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)c1ccc(C)nc1
InChIInChI=1S/C16H17FN2O2/c1-3-21-16(20)15(12-5-4-11(2)18-10-12)19-14-8-6-13(17)7-9-14/h4-10,15,19H,3H2,1-2H3
InChIKeyRARGKSWZLCJMSH-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.25
Rot. Bonds5

About ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate

ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate (PubChem CID 104822527) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
PubChem CID104822527
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Nameethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
SMILESCCOC(=O)C(Nc1ccc(F)cc1)c1ccc(C)nc1
InChIInChI=1S/C16H17FN2O2/c1-3-21-16(20)15(12-5-4-11(2)18-10-12)19-14-8-6-13(17)7-9-14/h4-10,15,19H,3H2,1-2H3
InChIKeyRARGKSWZLCJMSH-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822502
methyl 2-(4-bromoanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822541
ethyl 2-(cyclohexylamino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822573
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate
CID 118155417
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
2-(3-fluoro-5-methylanilino)-2-(6-methyl-3-pyridinyl)acetic acid
CID 104822625
2-(6-methyl-3-pyridinyl)-2-(propylamino)acetic acid
CID 104822494
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
CID 104711228
ethyl 2-(4-cyanoanilino)-2-[3-ethoxy-5-[2-(4-fluorophenyl)ethoxy]phenyl]acetate
CID 139927855
ethyl 2-(4-fluoroanilino)-3,3-dimethylbutanoate
CID 61325169

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate?
The IUPAC name of ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate (CID 104822527) is ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate is CCOC(=O)C(Nc1ccc(F)cc1)c1ccc(C)nc1.
What is the InChIKey of ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate?
The InChIKey is RARGKSWZLCJMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-21-16(20)15(12-5-4-11(2)18-10-12)19-14-8-6-13(17)7-9-14/h4-10,15,19H,3H2,1-2H3.
What are the key properties of ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate?
ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate has a molecular weight of 288.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 104822527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).