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

C10H12FNO3 — CID 82539689

IUPACmethyl 2-(2-fluoro-4-methoxyanilino)acetate
SMILESCOC(=O)CNc1ccc(OC)cc1F
InChIInChI=1S/C10H12FNO3/c1-14-7-3-4-9(8(11)5-7)12-6-10(13)15-2/h3-5,12H,6H2,1-2H3
InChIKeyAMMLPMCTVUTFAG-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.42
Rot. Bonds4

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

methyl 2-(2-fluoro-4-methoxyanilino)acetate (PubChem CID 82539689) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl 2-(2-fluoro-4-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-4-methoxyanilino)acetate
PubChem CID82539689
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-(2-fluoro-4-methoxyanilino)acetate
SMILESCOC(=O)CNc1ccc(OC)cc1F
InChIInChI=1S/C10H12FNO3/c1-14-7-3-4-9(8(11)5-7)12-6-10(13)15-2/h3-5,12H,6H2,1-2H3
InChIKeyAMMLPMCTVUTFAG-UHFFFAOYSA-N
XLogP1.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.42
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

1-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 82539782
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005391
1-chloro-3-(2-fluoro-4-methoxyanilino)propan-2-ol
CID 168636517
methyl 4-(2,4-difluoroanilino)butanoate
CID 43377916
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxyaniline
CID 82539246
methyl 2-(2-fluoro-4-methoxyanilino)propanoate
CID 82539504
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
2-[[2-(2-fluoroanilino)acetyl]amino]-5-methoxybenzoic acid
CID 18929238
(2-fluoro-4-methoxyphenyl)hydrazine;hydrobromide
CID 138620143
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-4-methoxyanilino)acetate?
The IUPAC name of methyl 2-(2-fluoro-4-methoxyanilino)acetate (CID 82539689) is methyl 2-(2-fluoro-4-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(2-fluoro-4-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(2-fluoro-4-methoxyanilino)acetate is COC(=O)CNc1ccc(OC)cc1F.
What is the InChIKey of methyl 2-(2-fluoro-4-methoxyanilino)acetate?
The InChIKey is AMMLPMCTVUTFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-7-3-4-9(8(11)5-7)12-6-10(13)15-2/h3-5,12H,6H2,1-2H3.
What are the key properties of methyl 2-(2-fluoro-4-methoxyanilino)acetate?
methyl 2-(2-fluoro-4-methoxyanilino)acetate has a molecular weight of 213.21 g/mol, XLogP of 1.42, 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)acetate is sourced from PubChem (CID 82539689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).