2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid

C25H19NO5 — CID 46935642

IUPAC2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid
SMILESO=C(COc1cccc(-c2ccoc2)c1)Nc1ccc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C25H19NO5/c27-24(16-31-21-8-4-7-18(13-21)20-11-12-30-15-20)26-23-10-9-19(14-22(23)25(28)29)17-5-2-1-3-6-17/h1-15H,16H2,(H,26,27)(H,28,29)
InChIKeyKOOTXEUIJAPGPI-UHFFFAOYSA-N
MW413.43 g/mol
LogP5.33
Rot. Bonds7

About 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid

2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid (PubChem CID 46935642) has the molecular formula C25H19NO5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid.

Molecular Properties

Compound Name2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid
PubChem CID46935642
Molecular FormulaC25H19NO5
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Name2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid
SMILESO=C(COc1cccc(-c2ccoc2)c1)Nc1ccc(-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C25H19NO5/c27-24(16-31-21-8-4-7-18(13-21)20-11-12-30-15-20)26-23-10-9-19(14-22(23)25(28)29)17-5-2-1-3-6-17/h1-15H,16H2,(H,26,27)(H,28,29)
InChIKeyKOOTXEUIJAPGPI-UHFFFAOYSA-N
XLogP5.33
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[[2-(3-phenylphenoxy)acetyl]amino]benzoic acid
CID 66680457
5-chloro-2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-3-methylbenzoic acid
CID 142738111
4-[[2-(4-phenylphenoxy)acetyl]amino]furan-3-carboxylic acid
CID 59781234
2-[[2-(3-nitrophenoxy)acetyl]amino]benzoic acid
CID 877684
5-phenyl-2-(propanoylamino)benzoic acid
CID 155717934
5-chloro-2-[3-[3-(furan-3-yl)phenyl]propanoylamino]benzoic acid
CID 66680638
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(furan-3-yl)phenoxy]acetamide
CID 11188643
3-[[2-(4-phenylphenoxy)acetyl]amino]furan-2-carboxylic acid
CID 59781223
2-acetamido-5-phenylbenzoic acid
CID 70700127
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
5-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]benzoic acid
CID 759752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid?
The IUPAC name of 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid (CID 46935642) is 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid.
What is the SMILES notation for 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid?
The canonical SMILES for 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid is O=C(COc1cccc(-c2ccoc2)c1)Nc1ccc(-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid?
The InChIKey is KOOTXEUIJAPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO5/c27-24(16-31-21-8-4-7-18(13-21)20-11-12-30-15-20)26-23-10-9-19(14-22(23)25(28)29)17-5-2-1-3-6-17/h1-15H,16H2,(H,26,27)(H,28,29).
What are the key properties of 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid?
2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid has a molecular weight of 413.43 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(furan-3-yl)phenoxy]acetyl]amino]-5-phenylbenzoic acid is sourced from PubChem (CID 46935642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).