ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate

C14H14F2N2O2 — CID 81285843

IUPACethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
SMILESCCOC(=O)CN(c1c(F)cc(C#N)cc1F)C1CC1
InChIInChI=1S/C14H14F2N2O2/c1-2-20-13(19)8-18(10-3-4-10)14-11(15)5-9(7-17)6-12(14)16/h5-6,10H,2-4,8H2,1H3
InChIKeyOLVIKKOVOIJPRI-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.37
Rot. Bonds5

About ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate

ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate (PubChem CID 81285843) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
PubChem CID81285843
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Nameethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
SMILESCCOC(=O)CN(c1c(F)cc(C#N)cc1F)C1CC1
InChIInChI=1S/C14H14F2N2O2/c1-2-20-13(19)8-18(10-3-4-10)14-11(15)5-9(7-17)6-12(14)16/h5-6,10H,2-4,8H2,1H3
InChIKeyOLVIKKOVOIJPRI-UHFFFAOYSA-N
XLogP2.37
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)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-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
CID 62005740
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
CID 63092793
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
ethyl 2-(3-bromo-4-cyano-N-cyclopropylanilino)acetate
CID 107276176
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
CID 64587416
ethyl 2-(N-cyclopropyl-4-fluoro-5-methyl-2-nitroanilino)acetate
CID 103594331
ethyl 2-(N-cyclopropyl-3-fluoro-2-nitroanilino)acetate
CID 62007053
ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
CID 66329484
2-(4-cyano-2,6-dimethylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 65471703
ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate
CID 60602596
ethyl 2-[cyclopropyl-(3,4-difluorobenzoyl)amino]acetate
CID 61410094
ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
CID 62005920

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate?
The IUPAC name of ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate (CID 81285843) is ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate?
The canonical SMILES for ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate is CCOC(=O)CN(c1c(F)cc(C#N)cc1F)C1CC1.
What is the InChIKey of ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate?
The InChIKey is OLVIKKOVOIJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-2-20-13(19)8-18(10-3-4-10)14-11(15)5-9(7-17)6-12(14)16/h5-6,10H,2-4,8H2,1H3.
What are the key properties of ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate?
ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate has a molecular weight of 280.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate is sourced from PubChem (CID 81285843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).