methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate

C12H12F2N2O2 — CID 107933593

IUPACmethyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate
SMILESCCN(CC(=O)OC)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C12H12F2N2O2/c1-3-16(7-10(17)18-2)9-5-4-8(6-15)11(13)12(9)14/h4-5H,3,7H2,1-2H3
InChIKeyXWYWYGOWRPPSRI-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.84
Rot. Bonds4

About methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate

methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate (PubChem CID 107933593) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate
PubChem CID107933593
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namemethyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate
SMILESCCN(CC(=O)OC)c1ccc(C#N)c(F)c1F
InChIInChI=1S/C12H12F2N2O2/c1-3-16(7-10(17)18-2)9-5-4-8(6-15)11(13)12(9)14/h4-5H,3,7H2,1-2H3
InChIKeyXWYWYGOWRPPSRI-UHFFFAOYSA-N
XLogP1.84
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2,3-difluorobenzonitrile
CID 107934283
2-(3-bromo-4-cyano-N-ethyl-2-fluoroanilino)-N,N-dimethylacetamide
CID 107533352
methyl 3-(4-cyano-2,3-difluoro-N-methylanilino)-2-methylpropanoate
CID 107933615
methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 81296575
methyl 2-(3-cyano-N-ethyl-4-nitroanilino)acetate
CID 115500664
2,3-difluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 107933486
methyl 2-(2-carbamothioyl-N-ethyl-4-fluoroanilino)acetate
CID 55233299
methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
CID 115487597
2-(4-cyano-2,3-difluoro-N-propan-2-ylanilino)acetamide
CID 107933584
2,3-difluoro-4-[2-methoxyethyl(2-methylpropyl)amino]benzonitrile
CID 107933567
methyl 2-(2-cyano-N,5-dimethylanilino)acetate
CID 62308388
methyl 2-(2-bromo-4-cyano-N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 82796975

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate?
The IUPAC name of methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate (CID 107933593) is methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate.
What is the SMILES notation for methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate?
The canonical SMILES for methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate is CCN(CC(=O)OC)c1ccc(C#N)c(F)c1F.
What is the InChIKey of methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate?
The InChIKey is XWYWYGOWRPPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-3-16(7-10(17)18-2)9-5-4-8(6-15)11(13)12(9)14/h4-5H,3,7H2,1-2H3.
What are the key properties of methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate?
methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate has a molecular weight of 254.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyano-N-ethyl-2,3-difluoroanilino)acetate is sourced from PubChem (CID 107933593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).