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

C19H15NO5 — CID 59781234

IUPAC4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1cocc1C(=O)O
InChIInChI=1S/C19H15NO5/c21-18(20-17-11-24-10-16(17)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)
InChIKeyXZTLQPVFYRIEKN-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.66
Rot. Bonds6

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

4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid (PubChem CID 59781234) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid
PubChem CID59781234
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid
SMILESO=C(COc1ccc(-c2ccccc2)cc1)Nc1cocc1C(=O)O
InChIInChI=1S/C19H15NO5/c21-18(20-17-11-24-10-16(17)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)
InChIKeyXZTLQPVFYRIEKN-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

3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid
CID 59781223
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid
CID 46935642
2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 4511691
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid
CID 100977124
N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 121148988
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid?
The IUPAC name of 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid (CID 59781234) is 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid?
The canonical SMILES for 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid is O=C(COc1ccc(-c2ccccc2)cc1)Nc1cocc1C(=O)O.
What is the InChIKey of 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid?
The InChIKey is XZTLQPVFYRIEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-18(20-17-11-24-10-16(17)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 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid?
4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-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 4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid is sourced from PubChem (CID 59781234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).