5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid

C16H15F2NO5 — CID 71915529

IUPAC5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)Cc2cccc(OC(F)F)c2)cc1C(=O)O
InChIInChI=1S/C16H15F2NO5/c1-9-13(15(21)22)7-12(23-9)8-19-14(20)6-10-3-2-4-11(5-10)24-16(17)18/h2-5,7,16H,6,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyRYNVQFLZQOVHTQ-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.75
Rot. Bonds7

About 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 71915529) has the molecular formula C16H15F2NO5 and a molecular weight of 339.29 g/mol. Its IUPAC name is 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID71915529
Molecular FormulaC16H15F2NO5
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)Cc2cccc(OC(F)F)c2)cc1C(=O)O
InChIInChI=1S/C16H15F2NO5/c1-9-13(15(21)22)7-12(23-9)8-19-14(20)6-10-3-2-4-11(5-10)24-16(17)18/h2-5,7,16H,6,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyRYNVQFLZQOVHTQ-UHFFFAOYSA-N
XLogP2.75
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid (CID 71915529) is 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)Cc2cccc(OC(F)F)c2)cc1C(=O)O.
What is the InChIKey of 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is RYNVQFLZQOVHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO5/c1-9-13(15(21)22)7-12(23-9)8-19-14(20)6-10-3-2-4-11(5-10)24-16(17)18/h2-5,7,16H,6,8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 339.29 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 71915529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).