N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide

C23H22BrN3O2 — CID 135419512

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C23H22BrN3O2/c24-21-11-12-22(28)20(13-21)14-25-26-23(29)17-27(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,28H,15-17H2,(H,26,29)/b25-14+
InChIKeyCKUQCHUYICYFGQ-AFUMVMLFSA-N
MW452.35 g/mol
LogP4.31
Rot. Bonds8

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide (PubChem CID 135419512) has the molecular formula C23H22BrN3O2 and a molecular weight of 452.35 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide
PubChem CID135419512
Molecular FormulaC23H22BrN3O2
Molecular Weight452.35 g/mol
Exact Mass451.09
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C23H22BrN3O2/c24-21-11-12-22(28)20(13-21)14-25-26-23(29)17-27(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,28H,15-17H2,(H,26,29)/b25-14+
InChIKeyCKUQCHUYICYFGQ-AFUMVMLFSA-N
XLogP4.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide (CID 135419512) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide is O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide?
The InChIKey is CKUQCHUYICYFGQ-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22BrN3O2/c24-21-11-12-22(28)20(13-21)14-25-26-23(29)17-27(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,28H,15-17H2,(H,26,29)/b25-14+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide has a molecular weight of 452.35 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(dibenzylamino)acetamide is sourced from PubChem (CID 135419512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).