N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide

C24H23BrN2O2 — CID 136914771

IUPACN-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCC(C)(C)c1cc(Br)cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C24H23BrN2O2/c1-24(2,3)21-14-20(25)13-19(22(21)28)15-26-27-23(29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15,28H,1-3H3,(H,27,29)/b26-15-
InChIKeySBVPKRPODDSRAN-YSMPRRRNSA-N
MW451.36 g/mol
LogP5.88
Rot. Bonds4

About N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 136914771) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID136914771
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC NameN-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCC(C)(C)c1cc(Br)cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C24H23BrN2O2/c1-24(2,3)21-14-20(25)13-19(22(21)28)15-26-27-23(29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15,28H,1-3H3,(H,27,29)/b26-15-
InChIKeySBVPKRPODDSRAN-YSMPRRRNSA-N
XLogP5.88
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135569410
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136934925
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-tert-butylbenzamide
CID 135768355
3,5-ditert-butyl-4-hydroxy-N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135437725
3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6382208
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135851245

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide (CID 136914771) is N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide is CC(C)(C)c1cc(Br)cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c1O.
What is the InChIKey of N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is SBVPKRPODDSRAN-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c1-24(2,3)21-14-20(25)13-19(22(21)28)15-26-27-23(29)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-15,28H,1-3H3,(H,27,29)/b26-15-.
What are the key properties of N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 451.36 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 136914771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).