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

C15H12BrIN2O2 — CID 71951596

IUPAC3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1I
InChIInChI=1S/C15H12BrIN2O2/c1-21-14-6-5-10(7-13(14)17)9-18-19-15(20)11-3-2-4-12(16)8-11/h2-9H,1H3,(H,19,20)
InChIKeyDASRAHWELUAQSF-UHFFFAOYSA-N
MW459.08 g/mol
LogP3.83
Rot. Bonds4

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

3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 71951596) has the molecular formula C15H12BrIN2O2 and a molecular weight of 459.08 g/mol. Its IUPAC name is 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID71951596
Molecular FormulaC15H12BrIN2O2
Molecular Weight459.08 g/mol
Exact Mass457.91
IUPAC Name3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1I
InChIInChI=1S/C15H12BrIN2O2/c1-21-14-6-5-10(7-13(14)17)9-18-19-15(20)11-3-2-4-12(16)8-11/h2-9H,1H3,(H,19,20)
InChIKeyDASRAHWELUAQSF-UHFFFAOYSA-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

4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 5339727
3-[(3-bromobenzoyl)amino]-N-[(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 171135912
3-bromo-N-[(5-bromo-2-methoxyphenyl)methylideneamino]benzamide
CID 1245790
3-bromo-N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]benzamide
CID 3886581
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 71951566
3-bromo-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6034793
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 51061927
[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 71951577
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide (CID 71951596) is 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2cccc(Br)c2)cc1I.
What is the InChIKey of 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is DASRAHWELUAQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIN2O2/c1-21-14-6-5-10(7-13(14)17)9-18-19-15(20)11-3-2-4-12(16)8-11/h2-9H,1H3,(H,19,20).
What are the key properties of 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide?
3-bromo-N-[(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 3-bromo-N-[(3-iodo-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 71951596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).