3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide

C13H9F2IN2O2 — CID 150172306

IUPAC3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C13H9F2IN2O2/c14-9-3-1-2-8(13(19)18-20)12(9)17-11-5-4-7(16)6-10(11)15/h1-6,17,20H,(H,18,19)
InChIKeyFJRMGIWCAFXCMD-UHFFFAOYSA-N
MW390.13 g/mol
LogP3.43
Rot. Bonds3

About 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide

3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide (PubChem CID 150172306) has the molecular formula C13H9F2IN2O2 and a molecular weight of 390.13 g/mol. Its IUPAC name is 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide.

Molecular Properties

Compound Name3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
PubChem CID150172306
Molecular FormulaC13H9F2IN2O2
Molecular Weight390.13 g/mol
Exact Mass389.97
IUPAC Name3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
SMILESO=C(NO)c1cccc(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C13H9F2IN2O2/c14-9-3-1-2-8(13(19)18-20)12(9)17-11-5-4-7(16)6-10(11)15/h1-6,17,20H,(H,18,19)
InChIKeyFJRMGIWCAFXCMD-UHFFFAOYSA-N
XLogP3.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.13
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3-fluoro-2-(2-fluoro-4-iodoanilino)-N-[2-hydroxy-3-(methylamino)propoxy]benzamide
CID 174404685
3-fluoro-2-(4-iodo-2-methylanilino)-N-propan-2-yloxybenzamide
CID 150751451
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
5-bromo-N-(2-fluoro-4-iodophenyl)naphthalene-1-carboxamide
CID 17111228
[3-fluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
CID 141178688
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxy-5-(2-hydroxyethoxyiminomethyl)benzamide
CID 85418493
N-(2-fluoro-4-iodophenyl)-2-methylbenzamide
CID 17102074
[3-fluoro-2-(2-fluoro-4-iodoanilino)phenyl]-(3-hydroxy-3-piperidin-2-ylazetidin-1-yl)methanone
CID 69102499
4-anilino-2-(2-chloro-4-iodoanilino)-3,5-difluoro-N-hydroxybenzamide
CID 18678035

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide?
The IUPAC name of 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide (CID 150172306) is 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide.
What is the SMILES notation for 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide?
The canonical SMILES for 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide is O=C(NO)c1cccc(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide?
The InChIKey is FJRMGIWCAFXCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2IN2O2/c14-9-3-1-2-8(13(19)18-20)12(9)17-11-5-4-7(16)6-10(11)15/h1-6,17,20H,(H,18,19).
What are the key properties of 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide?
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide has a molecular weight of 390.13 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide is sourced from PubChem (CID 150172306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).