2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid

C26H19NO5 — CID 44586801

IUPAC2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(O)c(-c2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C26H19NO5/c28-22-15-18(25(29)27-21-14-8-7-13-20(21)26(30)31)16-23(32-19-11-5-2-6-12-19)24(22)17-9-3-1-4-10-17/h1-16,28H,(H,27,29)(H,30,31)
InChIKeyVZUKAJYUOMNWBF-UHFFFAOYSA-N
MW425.44 g/mol
LogP5.80
Rot. Bonds6

About 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid

2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid (PubChem CID 44586801) has the molecular formula C26H19NO5 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid
PubChem CID44586801
Molecular FormulaC26H19NO5
Molecular Weight425.44 g/mol
Exact Mass425.13
IUPAC Name2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(O)c(-c2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C26H19NO5/c28-22-15-18(25(29)27-21-14-8-7-13-20(21)26(30)31)16-23(32-19-11-5-2-6-12-19)24(22)17-9-3-1-4-10-17/h1-16,28H,(H,27,29)(H,30,31)
InChIKeyVZUKAJYUOMNWBF-UHFFFAOYSA-N
XLogP5.80
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid (CID 44586801) is 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cc(O)c(-c2ccccc2)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The InChIKey is VZUKAJYUOMNWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO5/c28-22-15-18(25(29)27-21-14-8-7-13-20(21)26(30)31)16-23(32-19-11-5-2-6-12-19)24(22)17-9-3-1-4-10-17/h1-16,28H,(H,27,29)(H,30,31).
What are the key properties of 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid has a molecular weight of 425.44 g/mol, XLogP of 5.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-5-phenoxy-4-phenylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 44586801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).