ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate

C14H15FN2O2 — CID 62005740

IUPACethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
SMILESCCOC(=O)CN(c1cccc(F)c1C#N)C1CC1
InChIInChI=1S/C14H15FN2O2/c1-2-19-14(18)9-17(10-6-7-10)13-5-3-4-12(15)11(13)8-16/h3-5,10H,2,6-7,9H2,1H3
InChIKeyLGODIRBRWOKYNN-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.23
Rot. Bonds5

About ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate

ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate (PubChem CID 62005740) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
PubChem CID62005740
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Nameethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
SMILESCCOC(=O)CN(c1cccc(F)c1C#N)C1CC1
InChIInChI=1S/C14H15FN2O2/c1-2-19-14(18)9-17(10-6-7-10)13-5-3-4-12(15)11(13)8-16/h3-5,10H,2,6-7,9H2,1H3
InChIKeyLGODIRBRWOKYNN-UHFFFAOYSA-N
XLogP2.23
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(N-cyclopropyl-3-fluoro-2-nitroanilino)acetate
CID 62007053
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816
ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
CID 81285843
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
CID 64587416
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
CID 63092793
2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide
CID 78910916
ethyl 2-(3-bromo-4-cyano-N-cyclopropylanilino)acetate
CID 107276176
ethyl 2-(3-chloro-2-cyano-N-methylanilino)acetate
CID 62496387
ethyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopropylamino]acetate
CID 79035812
ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
CID 65434241
2-(2-cyano-3-fluoro-N-methylanilino)acetic acid
CID 79015712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate?
The IUPAC name of ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate (CID 62005740) is ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate?
The canonical SMILES for ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate is CCOC(=O)CN(c1cccc(F)c1C#N)C1CC1.
What is the InChIKey of ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate?
The InChIKey is LGODIRBRWOKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-19-14(18)9-17(10-6-7-10)13-5-3-4-12(15)11(13)8-16/h3-5,10H,2,6-7,9H2,1H3.
What are the key properties of ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate?
ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate has a molecular weight of 262.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate is sourced from PubChem (CID 62005740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).