N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide

C15H12Br2N2O4 — CID 135579518

IUPACN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1
InChIInChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
InChIKeyBMGXNERTVNWBJG-CNHKJKLMSA-N
MW444.08 g/mol
LogP3.40
Rot. Bonds4

About N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide

N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 135579518) has the molecular formula C15H12Br2N2O4 and a molecular weight of 444.08 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID135579518
Molecular FormulaC15H12Br2N2O4
Molecular Weight444.08 g/mol
Exact Mass441.92
IUPAC NameN-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1
InChIInChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+
InChIKeyBMGXNERTVNWBJG-CNHKJKLMSA-N
XLogP3.40
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.08
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579320
3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
4-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867733
4-tert-butyl-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135867737
N'-(5-Bromo-2-hydroxybenzylidene)-3,4-dimethoxybenzohydrazide
CID 135558504
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
4-Bromo-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]benzohydrazide
CID 5721838
N'-(5-bromo-2-methoxybenzylidene)-3,4,5-trimethoxybenzohydrazide
CID 6875973
N'-(5-Bromo-2-hydroxybenzylidene)-4-methoxybenzohydrazide
CID 135403152
Carbohydrazide derivative, 3h
CID 135579261
Carbohydrazide derivative, 5c
CID 135867740
Carbohydrazide derivative, 5e
CID 135867742

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide (CID 135579518) is N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)cc1.
What is the InChIKey of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is BMGXNERTVNWBJG-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H12Br2N2O4/c1-23-10-4-2-8(3-5-10)15(22)19-18-7-9-6-11(16)14(21)12(17)13(9)20/h2-7,20-21H,1H3,(H,19,22)/b18-7+.
What are the key properties of N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide?
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 444.08 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 135579518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).