2-(2-fluoro-4-iodoanilino)benzoyl azide

C13H8FIN4O — CID 174831673

IUPAC2-(2-fluoro-4-iodoanilino)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccccc1Nc1ccc(I)cc1F
InChIInChI=1S/C13H8FIN4O/c14-10-7-8(15)5-6-12(10)17-11-4-2-1-3-9(11)13(20)18-19-16/h1-7,17H
InChIKeyGJVQQDPVQGDBQT-UHFFFAOYSA-N
MW382.14 g/mol
LogP4.62
Rot. Bonds3

About 2-(2-fluoro-4-iodoanilino)benzoyl azide

2-(2-fluoro-4-iodoanilino)benzoyl azide (PubChem CID 174831673) has the molecular formula C13H8FIN4O and a molecular weight of 382.14 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)benzoyl azide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)benzoyl azide
PubChem CID174831673
Molecular FormulaC13H8FIN4O
Molecular Weight382.14 g/mol
Exact Mass381.97
IUPAC Name2-(2-fluoro-4-iodoanilino)benzoyl azide
SMILES[N-]=[N+]=NC(=O)c1ccccc1Nc1ccc(I)cc1F
InChIInChI=1S/C13H8FIN4O/c14-10-7-8(15)5-6-12(10)17-11-4-2-1-3-9(11)13(20)18-19-16/h1-7,17H
InChIKeyGJVQQDPVQGDBQT-UHFFFAOYSA-N
XLogP4.62
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.14
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(2-fluoro-4-iodoanilino)benzoate
CID 154151526
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
N-(2-fluoro-4-iodophenyl)-2-methylbenzamide
CID 17102074
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
CID 150172306
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692
[2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl]methanone
CID 166640206
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
1-[2-(2-fluoro-4-methoxyanilino)phenyl]ethanone
CID 82536619
N-(2-fluoro-4-iodophenyl)-2-phenylacetamide
CID 2993907
2-(2,5-difluoro-4-methylanilino)benzoic acid
CID 103586340

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)benzoyl azide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)benzoyl azide (CID 174831673) is 2-(2-fluoro-4-iodoanilino)benzoyl azide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)benzoyl azide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)benzoyl azide is [N-]=[N+]=NC(=O)c1ccccc1Nc1ccc(I)cc1F.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)benzoyl azide?
The InChIKey is GJVQQDPVQGDBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN4O/c14-10-7-8(15)5-6-12(10)17-11-4-2-1-3-9(11)13(20)18-19-16/h1-7,17H.
What are the key properties of 2-(2-fluoro-4-iodoanilino)benzoyl azide?
2-(2-fluoro-4-iodoanilino)benzoyl azide has a molecular weight of 382.14 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)benzoyl azide is sourced from PubChem (CID 174831673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).