N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide

C21H17BrN2O3 — CID 135647874

IUPACN-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1O
InChIInChI=1S/C21H17BrN2O3/c1-27-19-12-14(11-18(22)20(19)25)13-23-24-21(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13,25H,1H3,(H,24,26)/b23-13-
InChIKeyMICZLXPEISVECG-QRVIBDJDSA-N
MW425.28 g/mol
LogP4.59
Rot. Bonds5

About N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide

N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide (PubChem CID 135647874) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide
PubChem CID135647874
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC NameN-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1O
InChIInChI=1S/C21H17BrN2O3/c1-27-19-12-14(11-18(22)20(19)25)13-23-24-21(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13,25H,1H3,(H,24,26)/b23-13-
InChIKeyMICZLXPEISVECG-QRVIBDJDSA-N
XLogP4.59
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'-(5-Bromo-2-hydroxybenzylidene)-3,4-dimethoxybenzohydrazide
CID 135558504
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135536260
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135735439
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 135420141
1-N,4-N-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3983721
N'-(3-bromo-4-ethoxy-5-methoxybenzylidene)benzohydrazide
CID 5453070
N'-(3-hydroxy-4-methoxybenzylidene)[1,1'-biphenyl]-4-carbohydrazide
CID 6868971
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzamide
CID 135401237
N''-[(Z)-(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]adamantane-1-carbohydrazide
CID 135401307
N'-(3-bromo-4-hydroxy-5-methoxybenzylidene)hexanohydrazide
CID 135401371
N'-(2-hydroxy-3-methoxybenzylidene)[1,1'-biphenyl]-4-carbohydrazide
CID 135490325

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide (CID 135647874) is N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide is COc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1O.
What is the InChIKey of N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
The InChIKey is MICZLXPEISVECG-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c1-27-19-12-14(11-18(22)20(19)25)13-23-24-21(26)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13,25H,1H3,(H,24,26)/b23-13-.
What are the key properties of N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide?
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide has a molecular weight of 425.28 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 135647874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).