ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate

C16H12F4N2O3 — CID 135314125

IUPACethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C16H12F4N2O3/c1-2-25-16(24)12(21-15(23)8-6-4-3-5-7-8)9-10(17)13(19)22-14(20)11(9)18/h3-7,12H,2H2,1H3,(H,21,23)
InChIKeyLHIKKRIAGGSNRW-UHFFFAOYSA-N
MW356.28 g/mol
LogP2.67
Rot. Bonds5

About ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate

ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate (PubChem CID 135314125) has the molecular formula C16H12F4N2O3 and a molecular weight of 356.28 g/mol. Its IUPAC name is ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate
PubChem CID135314125
Molecular FormulaC16H12F4N2O3
Molecular Weight356.28 g/mol
Exact Mass356.08
IUPAC Nameethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C16H12F4N2O3/c1-2-25-16(24)12(21-15(23)8-6-4-3-5-7-8)9-10(17)13(19)22-14(20)11(9)18/h3-7,12H,2H2,1H3,(H,21,23)
InChIKeyLHIKKRIAGGSNRW-UHFFFAOYSA-N
XLogP2.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate 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

ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725807
ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate
CID 72734768
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094
ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
CID 134847437
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
diethyl 3,4-diacetyl-2,5-dibenzamidohex-3-enedioate
CID 138392491
ethyl (2S,3S)-3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 163362371
ethyl (3S)-3-benzamido-2,2-difluoro-3-hydroxypropanoate
CID 2303395
diethyl 2-[benzamido(naphthalen-1-yl)methyl]propanedioate
CID 102169461
ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
CID 10479731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate (CID 135314125) is ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate is CCOC(=O)C(NC(=O)c1ccccc1)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate?
The InChIKey is LHIKKRIAGGSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O3/c1-2-25-16(24)12(21-15(23)8-6-4-3-5-7-8)9-10(17)13(19)22-14(20)11(9)18/h3-7,12H,2H2,1H3,(H,21,23).
What are the key properties of ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate?
ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate has a molecular weight of 356.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate is sourced from PubChem (CID 135314125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).