4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide

C15H12BrIN2O2 — CID 5339727

IUPAC4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1I
InChIInChI=1S/C15H12BrIN2O2/c1-21-14-7-2-10(8-13(14)17)9-18-19-15(20)11-3-5-12(16)6-4-11/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyWXBUOPZJFVJPPU-NVMNQCDNSA-N
MW459.08 g/mol
LogP3.83
Rot. Bonds4

About 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide

4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5339727) has the molecular formula C15H12BrIN2O2 and a molecular weight of 459.08 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID5339727
Molecular FormulaC15H12BrIN2O2
Molecular Weight459.08 g/mol
Exact Mass457.91
IUPAC Name4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1I
InChIInChI=1S/C15H12BrIN2O2/c1-21-14-7-2-10(8-13(14)17)9-18-19-15(20)11-3-5-12(16)6-4-11/h2-9H,1H3,(H,19,20)/b18-9-
InChIKeyWXBUOPZJFVJPPU-NVMNQCDNSA-N
XLogP3.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.08
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 71951596
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl]methyl acetate
CID 5433767
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559
[4-[[(4-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3278536
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126325475
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126197554

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide (CID 5339727) is 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1I.
What is the InChIKey of 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is WXBUOPZJFVJPPU-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H12BrIN2O2/c1-21-14-7-2-10(8-13(14)17)9-18-19-15(20)11-3-5-12(16)6-4-11/h2-9H,1H3,(H,19,20)/b18-9-.
What are the key properties of 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide?
4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 459.08 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5339727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).