2-(2-cyano-3-fluoro-N-methylanilino)acetic acid

C10H9FN2O2 — CID 79015712

IUPAC2-(2-cyano-3-fluoro-N-methylanilino)acetic acid
SMILESCN(CC(=O)O)c1cccc(F)c1C#N
InChIInChI=1S/C10H9FN2O2/c1-13(6-10(14)15)9-4-2-3-8(11)7(9)5-12/h2-4H,6H2,1H3,(H,14,15)
InChIKeyWUQGPXRYQFCSQH-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.22
Rot. Bonds3

About 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid

2-(2-cyano-3-fluoro-N-methylanilino)acetic acid (PubChem CID 79015712) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-cyano-3-fluoro-N-methylanilino)acetic acid
PubChem CID79015712
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(2-cyano-3-fluoro-N-methylanilino)acetic acid
SMILESCN(CC(=O)O)c1cccc(F)c1C#N
InChIInChI=1S/C10H9FN2O2/c1-13(6-10(14)15)9-4-2-3-8(11)7(9)5-12/h2-4H,6H2,1H3,(H,14,15)
InChIKeyWUQGPXRYQFCSQH-UHFFFAOYSA-N
XLogP1.22
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(carboxymethyl)-2-cyano-3-fluoroanilino]acetic acid
CID 79513207
2-(2-cyano-3-fluoro-N-methylanilino)-N,N-diethylacetamide
CID 78910916
2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile
CID 78911019
N-(2-cyano-3-fluorophenyl)-N-methylprop-2-enamide
CID 156784802
2-[cyclohexylmethyl(methyl)amino]-6-fluorobenzonitrile
CID 112822772
2-fluoro-6-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 115765243
2-[(5-bromofuran-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 55680940
ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
CID 62005740
1-(2-cyano-3-fluoro-N-methylanilino)-1-methylthiourea
CID 20849486
2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 78911103
2-[(4-bromothiophen-2-yl)methyl-methylamino]-6-fluorobenzonitrile
CID 47281438
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzonitrile
CID 47406299

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid?
The IUPAC name of 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid (CID 79015712) is 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid?
The canonical SMILES for 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid is CN(CC(=O)O)c1cccc(F)c1C#N.
What is the InChIKey of 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid?
The InChIKey is WUQGPXRYQFCSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-13(6-10(14)15)9-4-2-3-8(11)7(9)5-12/h2-4H,6H2,1H3,(H,14,15).
What are the key properties of 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid?
2-(2-cyano-3-fluoro-N-methylanilino)acetic acid has a molecular weight of 208.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluoro-N-methylanilino)acetic acid is sourced from PubChem (CID 79015712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).