methyl 2-(2-fluoro-4-methoxyanilino)propanoate

C11H14FNO3 — CID 82539504

IUPACmethyl 2-(2-fluoro-4-methoxyanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccc(OC)cc1F
InChIInChI=1S/C11H14FNO3/c1-7(11(14)16-3)13-10-5-4-8(15-2)6-9(10)12/h4-7,13H,1-3H3
InChIKeyJYKXSYQZNXJSFX-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.81
Rot. Bonds4

About methyl 2-(2-fluoro-4-methoxyanilino)propanoate

methyl 2-(2-fluoro-4-methoxyanilino)propanoate (PubChem CID 82539504) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is methyl 2-(2-fluoro-4-methoxyanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-4-methoxyanilino)propanoate
PubChem CID82539504
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Namemethyl 2-(2-fluoro-4-methoxyanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccc(OC)cc1F
InChIInChI=1S/C11H14FNO3/c1-7(11(14)16-3)13-10-5-4-8(15-2)6-9(10)12/h4-7,13H,1-3H3
InChIKeyJYKXSYQZNXJSFX-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
methyl 2-(2,5-dimethoxyanilino)propanoate
CID 54941046
methyl 2-(4-methoxy-2-nitroanilino)propanoate
CID 43515163
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
(2-fluoro-4-methoxyphenyl)hydrazine;hydrobromide
CID 138620143
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
1-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 82539782
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
methyl 2-(2-carbamothioyl-4-fluoroanilino)propanoate
CID 63674729
methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-4-methoxyanilino)propanoate?
The IUPAC name of methyl 2-(2-fluoro-4-methoxyanilino)propanoate (CID 82539504) is methyl 2-(2-fluoro-4-methoxyanilino)propanoate.
What is the SMILES notation for methyl 2-(2-fluoro-4-methoxyanilino)propanoate?
The canonical SMILES for methyl 2-(2-fluoro-4-methoxyanilino)propanoate is COC(=O)C(C)Nc1ccc(OC)cc1F.
What is the InChIKey of methyl 2-(2-fluoro-4-methoxyanilino)propanoate?
The InChIKey is JYKXSYQZNXJSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-7(11(14)16-3)13-10-5-4-8(15-2)6-9(10)12/h4-7,13H,1-3H3.
What are the key properties of methyl 2-(2-fluoro-4-methoxyanilino)propanoate?
methyl 2-(2-fluoro-4-methoxyanilino)propanoate has a molecular weight of 227.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-4-methoxyanilino)propanoate is sourced from PubChem (CID 82539504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).