2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol

C25H19Cl2NO — CID 126612269

IUPAC2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol
SMILESCc1ccc(O)c(N(c2cc(Cl)ccc2Cl)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C25H19Cl2NO/c1-17-11-14-25(29)24(15-17)28(23-16-19(26)12-13-21(23)27)22-10-6-5-9-20(22)18-7-3-2-4-8-18/h2-16,29H,1H3
InChIKeyZEQSAKSFNZSRHJ-UHFFFAOYSA-N
MW420.34 g/mol
LogP8.14
Rot. Bonds4

About 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol

2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol (PubChem CID 126612269) has the molecular formula C25H19Cl2NO and a molecular weight of 420.34 g/mol. Its IUPAC name is 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol.

Molecular Properties

Compound Name2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol
PubChem CID126612269
Molecular FormulaC25H19Cl2NO
Molecular Weight420.34 g/mol
Exact Mass419.08
IUPAC Name2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol
SMILESCc1ccc(O)c(N(c2cc(Cl)ccc2Cl)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C25H19Cl2NO/c1-17-11-14-25(29)24(15-17)28(23-16-19(26)12-13-21(23)27)22-10-6-5-9-20(22)18-7-3-2-4-8-18/h2-16,29H,1H3
InChIKeyZEQSAKSFNZSRHJ-UHFFFAOYSA-N
XLogP8.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol?
The IUPAC name of 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol (CID 126612269) is 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol.
What is the SMILES notation for 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol?
The canonical SMILES for 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol is Cc1ccc(O)c(N(c2cc(Cl)ccc2Cl)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol?
The InChIKey is ZEQSAKSFNZSRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO/c1-17-11-14-25(29)24(15-17)28(23-16-19(26)12-13-21(23)27)22-10-6-5-9-20(22)18-7-3-2-4-8-18/h2-16,29H,1H3.
What are the key properties of 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol?
2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol has a molecular weight of 420.34 g/mol, XLogP of 8.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,5-dichlorophenyl)-2-phenylanilino)-4-methylphenol is sourced from PubChem (CID 126612269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).