4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide

C16H12FIN4O2 — CID 139878965

IUPAC4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide
SMILESO=C(NO)c1cc(-n2cccn2)c(F)cc1Nc1ccc(I)cc1
InChIInChI=1S/C16H12FIN4O2/c17-13-9-14(20-11-4-2-10(18)3-5-11)12(16(23)21-24)8-15(13)22-7-1-6-19-22/h1-9,20,24H,(H,21,23)
InChIKeyKMMLYCMDFVCAPZ-UHFFFAOYSA-N
MW438.20 g/mol
LogP3.48
Rot. Bonds4

About 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide

4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide (PubChem CID 139878965) has the molecular formula C16H12FIN4O2 and a molecular weight of 438.20 g/mol. Its IUPAC name is 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide
PubChem CID139878965
Molecular FormulaC16H12FIN4O2
Molecular Weight438.20 g/mol
Exact Mass438.00
IUPAC Name4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide
SMILESO=C(NO)c1cc(-n2cccn2)c(F)cc1Nc1ccc(I)cc1
InChIInChI=1S/C16H12FIN4O2/c17-13-9-14(20-11-4-2-10(18)3-5-11)12(16(23)21-24)8-15(13)22-7-1-6-19-22/h1-9,20,24H,(H,21,23)
InChIKeyKMMLYCMDFVCAPZ-UHFFFAOYSA-N
XLogP3.48
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.20
LogP ≤ 53.48
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

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
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrazol-1-ylbenzamide
CID 139878974
5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide
CID 139878822
5-bromo-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide
CID 139878855
N-(2-bromo-4-fluorophenyl)-2-pyrazol-1-ylbenzamide
CID 87004304
2-chloro-N-[2-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]-4-nitrobenzamide
CID 55818987
2,4-difluoro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072795
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 119859342
N-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-pyrazol-1-ylanilino)acetamide
CID 55860000
2-iodo-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072850

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide?
The IUPAC name of 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide (CID 139878965) is 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide is O=C(NO)c1cc(-n2cccn2)c(F)cc1Nc1ccc(I)cc1.
What is the InChIKey of 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide?
The InChIKey is KMMLYCMDFVCAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FIN4O2/c17-13-9-14(20-11-4-2-10(18)3-5-11)12(16(23)21-24)8-15(13)22-7-1-6-19-22/h1-9,20,24H,(H,21,23).
What are the key properties of 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide?
4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide has a molecular weight of 438.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 139878965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).