3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid

C19H15NO5 — CID 59781223

IUPAC3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1ccoc1C(=O)O
InChIInChI=1S/C19H15NO5/c21-17(20-16-10-11-24-18(16)19(22)23)12-25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeyDWLNUQYBKOJIOR-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.66
Rot. Bonds6

About 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid

3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid (PubChem CID 59781223) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid
PubChem CID59781223
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1ccoc1C(=O)O
InChIInChI=1S/C19H15NO5/c21-17(20-16-10-11-24-18(16)19(22)23)12-25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)(H,22,23)
InChIKeyDWLNUQYBKOJIOR-UHFFFAOYSA-N
XLogP3.66
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid
CID 59781234
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 4511691
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
N-(2-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670915
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557
2-naphthalen-1-yl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 4513399
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 17106098

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid?
The IUPAC name of 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid (CID 59781223) is 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid?
The canonical SMILES for 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid is O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccoc1C(=O)O.
What is the InChIKey of 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid?
The InChIKey is DWLNUQYBKOJIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-17(20-16-10-11-24-18(16)19(22)23)12-25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid?
3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid has a molecular weight of 337.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid is sourced from PubChem (CID 59781223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).