N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide

C15H12BrFN2O2 — CID 6009117

IUPACN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1F
InChIInChI=1S/C15H12BrFN2O2/c1-21-14-7-6-11(16)8-10(14)9-18-19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyRMWDBJBXKCUYNU-NVMNQCDNSA-N
MW351.18 g/mol
LogP3.36
Rot. Bonds4

About N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide (PubChem CID 6009117) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
PubChem CID6009117
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC NameN-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1F
InChIInChI=1S/C15H12BrFN2O2/c1-21-14-7-6-11(16)8-10(14)9-18-19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyRMWDBJBXKCUYNU-NVMNQCDNSA-N
XLogP3.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-iodobenzamide
CID 6158921
[4-bromo-2-[[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4155422
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
5-bromo-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136815793
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523448
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 6113383
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5066879
5-bromo-2-ethoxy-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 4101486
1-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 44507819
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
[4-bromo-2-[[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 3703867
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523654

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide (CID 6009117) is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide is COc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1F.
What is the InChIKey of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide?
The InChIKey is RMWDBJBXKCUYNU-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-21-14-7-6-11(16)8-10(14)9-18-19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide?
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide has a molecular weight of 351.18 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 6009117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).