methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate

C15H15FN2O2 — CID 60994884

IUPACmethyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C)(Nc1ccccc1F)c1ccncc1
InChIInChI=1S/C15H15FN2O2/c1-15(14(19)20-2,11-7-9-17-10-8-11)18-13-6-4-3-5-12(13)16/h3-10,18H,1-2H3
InChIKeySKOKDYGYAYEXFX-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.72
Rot. Bonds4

About methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate

methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate (PubChem CID 60994884) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
PubChem CID60994884
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namemethyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
SMILESCOC(=O)C(C)(Nc1ccccc1F)c1ccncc1
InChIInChI=1S/C15H15FN2O2/c1-15(14(19)20-2,11-7-9-17-10-8-11)18-13-6-4-3-5-12(13)16/h3-10,18H,1-2H3
InChIKeySKOKDYGYAYEXFX-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-chloroanilino)-2-pyridin-4-ylpropanoate
CID 60992065
methyl 2-(2-bromoanilino)-2-(4-fluorophenyl)propanoate
CID 60994120
methyl 2-(3-methylanilino)-2-pyridin-4-ylpropanoate
CID 60994077
methyl 2-(2-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60992984
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517
methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
CID 60992066
methyl 2-(2-methoxyanilino)-2-pyridin-3-ylpropanoate
CID 60994852
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994733
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate?
The IUPAC name of methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate (CID 60994884) is methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate is COC(=O)C(C)(Nc1ccccc1F)c1ccncc1.
What is the InChIKey of methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate?
The InChIKey is SKOKDYGYAYEXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-15(14(19)20-2,11-7-9-17-10-8-11)18-13-6-4-3-5-12(13)16/h3-10,18H,1-2H3.
What are the key properties of methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate?
methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate has a molecular weight of 274.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 60994884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).