2-[(3-phenoxybenzoyl)amino]benzoic acid

C20H15NO4 — CID 11325072

IUPAC2-[(3-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H15NO4/c22-19(21-18-12-5-4-11-17(18)20(23)24)14-7-6-10-16(13-14)25-15-8-2-1-3-9-15/h1-13H,(H,21,22)(H,23,24)
InChIKeyMIKJQLWATXBRIP-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.43
Rot. Bonds5

About 2-[(3-phenoxybenzoyl)amino]benzoic acid

2-[(3-phenoxybenzoyl)amino]benzoic acid (PubChem CID 11325072) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[(3-phenoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-phenoxybenzoyl)amino]benzoic acid
PubChem CID11325072
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-[(3-phenoxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H15NO4/c22-19(21-18-12-5-4-11-17(18)20(23)24)14-7-6-10-16(13-14)25-15-8-2-1-3-9-15/h1-13H,(H,21,22)(H,23,24)
InChIKeyMIKJQLWATXBRIP-UHFFFAOYSA-N
XLogP4.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxybenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-phenoxybenzoyl)amino]benzoic acid (CID 11325072) is 2-[(3-phenoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-phenoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-phenoxybenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenoxybenzoyl)amino]benzoic acid?
The InChIKey is MIKJQLWATXBRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-19(21-18-12-5-4-11-17(18)20(23)24)14-7-6-10-16(13-14)25-15-8-2-1-3-9-15/h1-13H,(H,21,22)(H,23,24).
What are the key properties of 2-[(3-phenoxybenzoyl)amino]benzoic acid?
2-[(3-phenoxybenzoyl)amino]benzoic acid has a molecular weight of 333.34 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 11325072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).