4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide

C26H22N2O2 — CID 25158801

IUPAC4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C26H22N2O2/c29-25-16-15-22(20-7-3-1-4-8-20)17-24(25)28-26(30)21-13-11-19(12-14-21)18-27-23-9-5-2-6-10-23/h1-17,27,29H,18H2,(H,28,30)
InChIKeyYXFFUVZHXPGVBV-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.92
Rot. Bonds6

About 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide

4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide (PubChem CID 25158801) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
PubChem CID25158801
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNc2ccccc2)cc1
InChIInChI=1S/C26H22N2O2/c29-25-16-15-22(20-7-3-1-4-8-20)17-24(25)28-26(30)21-13-11-19(12-14-21)18-27-23-9-5-2-6-10-23/h1-17,27,29H,18H2,(H,28,30)
InChIKeyYXFFUVZHXPGVBV-UHFFFAOYSA-N
XLogP5.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The IUPAC name of 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide (CID 25158801) is 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide.
What is the SMILES notation for 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The canonical SMILES for 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNc2ccccc2)cc1.
What is the InChIKey of 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The InChIKey is YXFFUVZHXPGVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c29-25-16-15-22(20-7-3-1-4-8-20)17-24(25)28-26(30)21-13-11-19(12-14-21)18-27-23-9-5-2-6-10-23/h1-17,27,29H,18H2,(H,28,30).
What are the key properties of 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide has a molecular weight of 394.47 g/mol, XLogP of 5.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide is sourced from PubChem (CID 25158801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).