5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide

C19H18FIN4O2 — CID 139878822

IUPAC5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide
SMILESCc1cc(C)n(-c2cc(C(=O)NO)c(Nc3ccc(I)cc3C)cc2F)n1
InChIInChI=1S/C19H18FIN4O2/c1-10-6-13(21)4-5-16(10)22-17-9-15(20)18(8-14(17)19(26)24-27)25-12(3)7-11(2)23-25/h4-9,22,27H,1-3H3,(H,24,26)
InChIKeyVNVJSXNDPBFGLF-UHFFFAOYSA-N
MW480.28 g/mol
LogP4.40
Rot. Bonds4

About 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide

5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide (PubChem CID 139878822) has the molecular formula C19H18FIN4O2 and a molecular weight of 480.28 g/mol. Its IUPAC name is 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide.

Molecular Properties

Compound Name5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide
PubChem CID139878822
Molecular FormulaC19H18FIN4O2
Molecular Weight480.28 g/mol
Exact Mass480.05
IUPAC Name5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide
SMILESCc1cc(C)n(-c2cc(C(=O)NO)c(Nc3ccc(I)cc3C)cc2F)n1
InChIInChI=1S/C19H18FIN4O2/c1-10-6-13(21)4-5-16(10)22-17-9-15(20)18(8-14(17)19(26)24-27)25-12(3)7-11(2)23-25/h4-9,22,27H,1-3H3,(H,24,26)
InChIKeyVNVJSXNDPBFGLF-UHFFFAOYSA-N
XLogP4.40
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.28
LogP ≤ 54.40
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
4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide
CID 139878965
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrrol-1-ylbenzamide
CID 139878864
2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide
CID 139878858
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrazol-1-ylbenzamide
CID 139878974
4,5-difluoro-N-(3-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 87738648
4,5-difluoro-N-(4-hydroxybutan-2-yloxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286588
1-[3,4-difluoro-2-(4-iodo-2-methylanilino)phenyl]ethanone
CID 23526715
N-[cyclobutyl(hydroxy)methoxy]-4,5-difluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22286539
5-bromo-4-fluoro-N-(3-hydroxy-2-methoxypropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286321
4,5-difluoro-N-(3-hydroxy-2,2-dimethylpropoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286142
2-fluoro-N-(4-iodo-2-methylphenyl)-5-methylbenzamide
CID 55083380

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide?
The IUPAC name of 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide (CID 139878822) is 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide.
What is the SMILES notation for 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide?
The canonical SMILES for 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide is Cc1cc(C)n(-c2cc(C(=O)NO)c(Nc3ccc(I)cc3C)cc2F)n1.
What is the InChIKey of 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide?
The InChIKey is VNVJSXNDPBFGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FIN4O2/c1-10-6-13(21)4-5-16(10)22-17-9-15(20)18(8-14(17)19(26)24-27)25-12(3)7-11(2)23-25/h4-9,22,27H,1-3H3,(H,24,26).
What are the key properties of 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide?
5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide has a molecular weight of 480.28 g/mol, XLogP of 4.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide is sourced from PubChem (CID 139878822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).