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

C16H11ClFIN4O2 — CID 139878858

IUPAC2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide
SMILESO=C(NO)c1cc(F)c(-n2ccnc2)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C16H11ClFIN4O2/c17-11-5-9(19)1-2-13(11)21-14-7-15(23-4-3-20-8-23)12(18)6-10(14)16(24)22-25/h1-8,21,25H,(H,22,24)
InChIKeyWLCOZXNRVAQXJY-UHFFFAOYSA-N
MW472.65 g/mol
LogP4.13
Rot. Bonds4

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

2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide (PubChem CID 139878858) has the molecular formula C16H11ClFIN4O2 and a molecular weight of 472.65 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide
PubChem CID139878858
Molecular FormulaC16H11ClFIN4O2
Molecular Weight472.65 g/mol
Exact Mass471.96
IUPAC Name2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide
SMILESO=C(NO)c1cc(F)c(-n2ccnc2)cc1Nc1ccc(I)cc1Cl
InChIInChI=1S/C16H11ClFIN4O2/c17-11-5-9(19)1-2-13(11)21-14-7-15(23-4-3-20-8-23)12(18)6-10(14)16(24)22-25/h1-8,21,25H,(H,22,24)
InChIKeyWLCOZXNRVAQXJY-UHFFFAOYSA-N
XLogP4.13
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.65
LogP ≤ 54.13
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-2-(2-chloro-4-iodoanilino)-N-hydroxy-4-imidazol-1-ylbenzamide
CID 139878855
2-(2-chloro-4-iodoanilino)-5-fluoro-4-pyrazol-1-ylbenzoic acid
CID 139878764
2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-5-fluoro-4-pyrrol-1-ylbenzamide
CID 139878765
4-fluoro-N-hydroxy-2-(4-iodoanilino)-5-pyrazol-1-ylbenzamide
CID 139878965
4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide
CID 18678035
5-(3,5-dimethylpyrazol-1-yl)-4-fluoro-N-hydroxy-2-(4-iodo-2-methylanilino)benzamide
CID 139878822
5-bromo-N-hydroxy-2-(4-iodo-2-methylanilino)-4-pyrazol-1-ylbenzamide
CID 139878898
2-(2-chloro-4-iodoanilino)-4,5-difluoro-N-[(1-hydroxycyclobutyl)methoxy]benzamide
CID 87738909
5-chloro-2-(2-chloro-4-iodoanilino)-4-fluoro-N-(2-hydroxy-3-methylbutoxy)benzamide
CID 22286231
N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26409874
N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791741
5-bromo-2-(2-chloro-4-iodoanilino)-N-[cyclopropyl(hydroxy)methoxy]-4-fluorobenzamide
CID 22286602

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide (CID 139878858) is 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide is O=C(NO)c1cc(F)c(-n2ccnc2)cc1Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide?
The InChIKey is WLCOZXNRVAQXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFIN4O2/c17-11-5-9(19)1-2-13(11)21-14-7-15(23-4-3-20-8-23)12(18)6-10(14)16(24)22-25/h1-8,21,25H,(H,22,24).
What are the key properties of 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide?
2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide has a molecular weight of 472.65 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-5-fluoro-N-hydroxy-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 139878858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).