N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide

C15H11Br2FN2O3 — CID 136793261

IUPACN-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCOc1cc(Br)c(Br)c(/C=N\NC(=O)c2cccc(F)c2)c1O
InChIInChI=1S/C15H11Br2FN2O3/c1-23-12-6-11(16)13(17)10(14(12)21)7-19-20-15(22)8-3-2-4-9(18)5-8/h2-7,21H,1H3,(H,20,22)/b19-7-
InChIKeyWEALZVHMIPDMNW-GXHLCREISA-N
MW446.07 g/mol
LogP3.83
Rot. Bonds4

About N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide

N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 136793261) has the molecular formula C15H11Br2FN2O3 and a molecular weight of 446.07 g/mol. Its IUPAC name is N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
PubChem CID136793261
Molecular FormulaC15H11Br2FN2O3
Molecular Weight446.07 g/mol
Exact Mass443.91
IUPAC NameN-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCOc1cc(Br)c(Br)c(/C=N\NC(=O)c2cccc(F)c2)c1O
InChIInChI=1S/C15H11Br2FN2O3/c1-23-12-6-11(16)13(17)10(14(12)21)7-19-20-15(22)8-3-2-4-9(18)5-8/h2-7,21H,1H3,(H,20,22)/b19-7-
InChIKeyWEALZVHMIPDMNW-GXHLCREISA-N
XLogP3.83
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.07
LogP ≤ 53.83
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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Related Compounds

N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135504491
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578986
methyl N-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 4598161
methyl N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 136747503
N-[(E)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 139301914
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 135578539
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N-[2-[(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 136909142
3-bromo-N-[(Z)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 136865713
1-N-[(E)-(2,6-dimethoxyphenyl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44506519
tert-butyl N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]carbamate
CID 135642273
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide (CID 136793261) is N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide is COc1cc(Br)c(Br)c(/C=N\NC(=O)c2cccc(F)c2)c1O.
What is the InChIKey of N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is WEALZVHMIPDMNW-GXHLCREISA-N. The full InChI is InChI=1S/C15H11Br2FN2O3/c1-23-12-6-11(16)13(17)10(14(12)21)7-19-20-15(22)8-3-2-4-9(18)5-8/h2-7,21H,1H3,(H,20,22)/b19-7-.
What are the key properties of N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide?
N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 446.07 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 136793261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).