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

C25H18N2O4 — CID 11464013

IUPAC2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccnc2)c(Oc2ccccc2)c1
InChIInChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30)
InChIKeyVODIANKEFLCLNL-UHFFFAOYSA-N
MW410.43 g/mol
LogP5.49
Rot. Bonds6

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

2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid (PubChem CID 11464013) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid
PubChem CID11464013
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccnc2)c(Oc2ccccc2)c1
InChIInChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30)
InChIKeyVODIANKEFLCLNL-UHFFFAOYSA-N
XLogP5.49
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid (CID 11464013) is 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccnc2)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid?
The InChIKey is VODIANKEFLCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30).
What are the key properties of 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid?
2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid has a molecular weight of 410.43 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 11464013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).