5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide

C17H14BrIN4O2 — CID 139878898

IUPAC5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide
SMILESCc1cc(I)ccc1Nc1cc(-n2cccn2)c(Br)cc1C(=O)NO
InChIInChI=1S/C17H14BrIN4O2/c1-10-7-11(19)3-4-14(10)21-15-9-16(23-6-2-5-20-23)13(18)8-12(15)17(24)22-25/h2-9,21,25H,1H3,(H,22,24)
InChIKeyTZPWAZCXPIFHEX-UHFFFAOYSA-N
MW513.13 g/mol
LogP4.41
Rot. Bonds4

About 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide

5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide (PubChem CID 139878898) has the molecular formula C17H14BrIN4O2 and a molecular weight of 513.13 g/mol. Its IUPAC name is 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide
PubChem CID139878898
Molecular FormulaC17H14BrIN4O2
Molecular Weight513.13 g/mol
Exact Mass511.93
IUPAC Name5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide
SMILESCc1cc(I)ccc1Nc1cc(-n2cccn2)c(Br)cc1C(=O)NO
InChIInChI=1S/C17H14BrIN4O2/c1-10-7-11(19)3-4-14(10)21-15-9-16(23-6-2-5-20-23)13(18)8-12(15)17(24)22-25/h2-9,21,25H,1H3,(H,22,24)
InChIKeyTZPWAZCXPIFHEX-UHFFFAOYSA-N
XLogP4.41
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.13
LogP ≤ 54.41
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

4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide
CID 139878965
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrazol-1-ylbenzamide
CID 139878974
5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide
CID 139878855
5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide
CID 139878822
2-(2-chloro-4-iodoanilino)-5-fluoro-4-pyrazol-1-ylbenzoic acid
CID 139878764
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide
CID 139878858
5-iodo-2-(4-iodo-2-methylanilino)benzamide
CID 142657189
N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
CID 87004304
5-bromo-4-fluoro-N-(3-hydroxy-2-methoxypropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286321
N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 56765908
1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide?
The IUPAC name of 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide (CID 139878898) is 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide is Cc1cc(I)ccc1Nc1cc(-n2cccn2)c(Br)cc1C(=O)NO.
What is the InChIKey of 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide?
The InChIKey is TZPWAZCXPIFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrIN4O2/c1-10-7-11(19)3-4-14(10)21-15-9-16(23-6-2-5-20-23)13(18)8-12(15)17(24)22-25/h2-9,21,25H,1H3,(H,22,24).
What are the key properties of 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide?
5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide has a molecular weight of 513.13 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 139878898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).