5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid

C14H14FNO4 — CID 104608490

IUPAC5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid
SMILESCCOc1cc(F)ccc1NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H14FNO4/c1-2-19-13-6-10(15)3-4-12(13)16-7-11-5-9(8-20-11)14(17)18/h3-6,8,16H,2,7H2,1H3,(H,17,18)
InChIKeyJCKNMBDVAGBIKZ-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.13
Rot. Bonds6

About 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid

5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid (PubChem CID 104608490) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid
PubChem CID104608490
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Name5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid
SMILESCCOc1cc(F)ccc1NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H14FNO4/c1-2-19-13-6-10(15)3-4-12(13)16-7-11-5-9(8-20-11)14(17)18/h3-6,8,16H,2,7H2,1H3,(H,17,18)
InChIKeyJCKNMBDVAGBIKZ-UHFFFAOYSA-N
XLogP3.13
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluoro-2-nitroanilino)methyl]furan-3-carboxylic acid
CID 104608316
5-[(2-methoxy-4-methylanilino)methyl]furan-3-carboxylic acid
CID 104608703
5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid
CID 104608047
methyl 5-[(2-chloro-4-fluoroanilino)methyl]furan-3-carboxylate
CID 104608171
5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylic acid
CID 104608807
5-[(5-chloro-2-propoxyanilino)methyl]furan-3-carboxylic acid
CID 104608688
5-[(4-iodo-2-methylanilino)methyl]furan-3-carboxylic acid
CID 113432465
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
N-(2-ethoxy-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604524
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104608254
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 104608517

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid (CID 104608490) is 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid is CCOc1cc(F)ccc1NCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid?
The InChIKey is JCKNMBDVAGBIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c1-2-19-13-6-10(15)3-4-12(13)16-7-11-5-9(8-20-11)14(17)18/h3-6,8,16H,2,7H2,1H3,(H,17,18).
What are the key properties of 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid?
5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid has a molecular weight of 279.27 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-4-fluoroanilino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).