[4-(4-anilinoanilino)phenyl] benzoate

C25H20N2O2 — CID 19763264

IUPAC[4-(4-anilinoanilino)phenyl] benzoate
SMILESO=C(Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C25H20N2O2/c28-25(19-7-3-1-4-8-19)29-24-17-15-23(16-18-24)27-22-13-11-21(12-14-22)26-20-9-5-2-6-10-20/h1-18,26-27H
InChIKeyHDWUOPUJMLNZQD-UHFFFAOYSA-N
MW380.45 g/mol
LogP6.39
Rot. Bonds6

About [4-(4-anilinoanilino)phenyl] benzoate

[4-(4-anilinoanilino)phenyl] benzoate (PubChem CID 19763264) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is [4-(4-anilinoanilino)phenyl] benzoate.

Molecular Properties

Compound Name[4-(4-anilinoanilino)phenyl] benzoate
PubChem CID19763264
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name[4-(4-anilinoanilino)phenyl] benzoate
SMILESO=C(Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C25H20N2O2/c28-25(19-7-3-1-4-8-19)29-24-17-15-23(16-18-24)27-22-13-11-21(12-14-22)26-20-9-5-2-6-10-20/h1-18,26-27H
InChIKeyHDWUOPUJMLNZQD-UHFFFAOYSA-N
XLogP6.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(4-anilinoanilino)phenyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzamidophenyl) benzoate
CID 569583
[4-[4-(4-benzoyloxyphenoxy)phenoxy]phenyl] benzoate
CID 14669952
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
[4-(propylamino)phenyl] benzoate
CID 82532431
[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
CID 155294828
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
methane;methyl 4-anilinobenzoate
CID 160948347
[4-(phenoxymethoxy)phenyl] benzoate
CID 20724331
formaldehyde;(4-methylphenyl) benzoate
CID 143467602
[4-(N-(4-benzoyloxyphenyl)anilino)phenyl] benzoate
CID 163872416
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010

Frequently Asked Questions

What is the IUPAC name of [4-(4-anilinoanilino)phenyl] benzoate?
The IUPAC name of [4-(4-anilinoanilino)phenyl] benzoate (CID 19763264) is [4-(4-anilinoanilino)phenyl] benzoate.
What is the SMILES notation for [4-(4-anilinoanilino)phenyl] benzoate?
The canonical SMILES for [4-(4-anilinoanilino)phenyl] benzoate is O=C(Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of [4-(4-anilinoanilino)phenyl] benzoate?
The InChIKey is HDWUOPUJMLNZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-25(19-7-3-1-4-8-19)29-24-17-15-23(16-18-24)27-22-13-11-21(12-14-22)26-20-9-5-2-6-10-20/h1-18,26-27H.
What are the key properties of [4-(4-anilinoanilino)phenyl] benzoate?
[4-(4-anilinoanilino)phenyl] benzoate has a molecular weight of 380.45 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-anilinoanilino)phenyl] benzoate is sourced from PubChem (CID 19763264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).