phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate

C20H15FN2O3 — CID 41030181

IUPACphenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H15FN2O3/c21-16-10-4-5-11-17(16)23-19-15(9-6-12-22-19)20(25)26-13-18(24)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,23)
InChIKeySDLFSSAJEPLMTC-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.00
Rot. Bonds6

About phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate

phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate (PubChem CID 41030181) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Namephenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate
PubChem CID41030181
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Namephenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C20H15FN2O3/c21-16-10-4-5-11-17(16)23-19-15(9-6-12-22-19)20(25)26-13-18(24)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,23)
InChIKeySDLFSSAJEPLMTC-UHFFFAOYSA-N
XLogP4.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2546779
[2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 46508714
[2-oxo-2-(4-propylphenyl)ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate
CID 4844062
[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 3310661
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967528
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2545576
(1-propyltetrazol-5-yl)methyl 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 27027535
2-(2-fluoroanilino)-N-methoxy-N-methylpyridine-3-carboxamide
CID 47142435
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 55398656
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
CID 2378619

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The IUPAC name of phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate (CID 41030181) is phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate.
What is the SMILES notation for phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The canonical SMILES for phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Nc1ccccc1F)c1ccccc1.
What is the InChIKey of phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
The InChIKey is SDLFSSAJEPLMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c21-16-10-4-5-11-17(16)23-19-15(9-6-12-22-19)20(25)26-13-18(24)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,23).
What are the key properties of phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate?
phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate has a molecular weight of 350.35 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-(2-fluoroanilino)pyridine-3-carboxylate is sourced from PubChem (CID 41030181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).