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

C26H19NO4 — CID 11177309

IUPAC2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
InChIKeyRYMAXBJFTSZAJG-UHFFFAOYSA-N
MW409.44 g/mol
LogP6.10
Rot. Bonds6

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

2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid (PubChem CID 11177309) has the molecular formula C26H19NO4 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid
PubChem CID11177309
Molecular FormulaC26H19NO4
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC Name2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)
InChIKeyRYMAXBJFTSZAJG-UHFFFAOYSA-N
XLogP6.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid (CID 11177309) is 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The InChIKey is RYMAXBJFTSZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30).
What are the key properties of 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid has a molecular weight of 409.44 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 11177309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).