5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide

C16H11BrClIN4O2 — CID 139878855

IUPAC5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide
SMILESO=C(NO)c1cc(Br)c(-n2ccnc2)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C16H11BrClIN4O2/c17-11-6-10(16(24)22-25)14(7-15(11)23-4-3-20-8-23)21-13-2-1-9(19)5-12(13)18/h1-8,21,25H,(H,22,24)
InChIKeyHMYAWGNDMVWMDO-UHFFFAOYSA-N
MW533.55 g/mol
LogP4.76
Rot. Bonds4

About 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide

5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide (PubChem CID 139878855) has the molecular formula C16H11BrClIN4O2 and a molecular weight of 533.55 g/mol. Its IUPAC name is 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide
PubChem CID139878855
Molecular FormulaC16H11BrClIN4O2
Molecular Weight533.55 g/mol
Exact Mass531.88
IUPAC Name5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide
SMILESO=C(NO)c1cc(Br)c(-n2ccnc2)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C16H11BrClIN4O2/c17-11-6-10(16(24)22-25)14(7-15(11)23-4-3-20-8-23)21-13-2-1-9(19)5-12(13)18/h1-8,21,25H,(H,22,24)
InChIKeyHMYAWGNDMVWMDO-UHFFFAOYSA-N
XLogP4.76
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.55
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide
CID 139878858
5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide
CID 139878898
2-(2-chloro-4-iodoanilino)-5-fluoro-4-pyrazol-1-ylbenzoic acid
CID 139878764
5-bromo-N-(cyclopropylmethoxy)-2-(4-iodoanilino)-4-pyrrol-1-ylbenzamide
CID 139878902
4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide
CID 139878965
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-5-fluoro-4-pyrrol-1-ylbenzamide
CID 139878765
5-bromo-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-4-fluorobenzamide
CID 22286602
4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide
CID 18678035
2-bromo-4-chloro-N-(2-chloro-4-iodophenyl)benzamide
CID 114024506
4-chloro-N-(2-imidazol-1-ylphenyl)pyridine-3-carboxamide
CID 81228247
5-bromo-2-(2-chloro-4-iodoanilino)-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methoxy]benzamide
CID 87737799
4-bromo-3-imidazol-1-ylbenzoic acid
CID 84711748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide?
The IUPAC name of 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide (CID 139878855) is 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide.
What is the SMILES notation for 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide?
The canonical SMILES for 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide is O=C(NO)c1cc(Br)c(-n2ccnc2)cc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide?
The InChIKey is HMYAWGNDMVWMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClIN4O2/c17-11-6-10(16(24)22-25)14(7-15(11)23-4-3-20-8-23)21-13-2-1-9(19)5-12(13)18/h1-8,21,25H,(H,22,24).
What are the key properties of 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide?
5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide has a molecular weight of 533.55 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 139878855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).