[2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate

C26H20N2O4 — CID 6610705

IUPAC[2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccccc2-c2ccccc2OC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C26H20N2O4/c27-19-13-9-17(10-14-19)25(29)31-23-7-3-1-5-21(23)22-6-2-4-8-24(22)32-26(30)18-11-15-20(28)16-12-18/h1-16H,27-28H2
InChIKeyOWVHOWWZUCJCNY-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.96
Rot. Bonds5

About [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate

[2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate (PubChem CID 6610705) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate.

Molecular Properties

Compound Name[2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate
PubChem CID6610705
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name[2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccccc2-c2ccccc2OC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C26H20N2O4/c27-19-13-9-17(10-14-19)25(29)31-23-7-3-1-5-21(23)22-6-2-4-8-24(22)32-26(30)18-11-15-20(28)16-12-18/h1-16H,27-28H2
InChIKeyOWVHOWWZUCJCNY-UHFFFAOYSA-N
XLogP4.96
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate?
The IUPAC name of [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate (CID 6610705) is [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate.
What is the SMILES notation for [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate?
The canonical SMILES for [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate is Nc1ccc(C(=O)Oc2ccccc2-c2ccccc2OC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate?
The InChIKey is OWVHOWWZUCJCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c27-19-13-9-17(10-14-19)25(29)31-23-7-3-1-5-21(23)22-6-2-4-8-24(22)32-26(30)18-11-15-20(28)16-12-18/h1-16H,27-28H2.
What are the key properties of [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate?
[2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate has a molecular weight of 424.46 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-aminobenzoyl)oxyphenyl]phenyl] 4-aminobenzoate is sourced from PubChem (CID 6610705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).