3-fluoro-2-(4-iodoanilino)benzamide

C13H10FIN2O — CID 175969142

IUPAC3-fluoro-2-(4-iodoanilino)benzamide
SMILESNC(=O)c1cccc(F)c1Nc1ccc(I)cc1
InChIInChI=1S/C13H10FIN2O/c14-11-3-1-2-10(13(16)18)12(11)17-9-6-4-8(15)5-7-9/h1-7,17H,(H2,16,18)
InChIKeyPMOHHNULFRBMLZ-UHFFFAOYSA-N
MW356.14 g/mol
LogP3.27
Rot. Bonds3

About 3-fluoro-2-(4-iodoanilino)benzamide

3-fluoro-2-(4-iodoanilino)benzamide (PubChem CID 175969142) has the molecular formula C13H10FIN2O and a molecular weight of 356.14 g/mol. Its IUPAC name is 3-fluoro-2-(4-iodoanilino)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(4-iodoanilino)benzamide
PubChem CID175969142
Molecular FormulaC13H10FIN2O
Molecular Weight356.14 g/mol
Exact Mass355.98
IUPAC Name3-fluoro-2-(4-iodoanilino)benzamide
SMILESNC(=O)c1cccc(F)c1Nc1ccc(I)cc1
InChIInChI=1S/C13H10FIN2O/c14-11-3-1-2-10(13(16)18)12(11)17-9-6-4-8(15)5-7-9/h1-7,17H,(H2,16,18)
InChIKeyPMOHHNULFRBMLZ-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(3-chloro-4-fluoroanilino)benzamide
CID 112577949
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
2-[(2,5-dichloropyrimidin-4-yl)amino]-3-fluorobenzamide
CID 86633987
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
CID 150172306
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
2-fluorobenzamide;dihydrochloride
CID 22563899
3-fluoro-2-(2-methyl-4-methylsulfinylanilino)benzamide
CID 141031619
3-fluoro-2-[(4-iodophenyl)sulfonylamino]benzoic acid
CID 80583769
2-amino-5-(2,3-difluoroanilino)benzamide
CID 61306978
3-amino-2-(2,3,5,6-tetrafluoroanilino)benzamide
CID 107645811

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-iodoanilino)benzamide?
The IUPAC name of 3-fluoro-2-(4-iodoanilino)benzamide (CID 175969142) is 3-fluoro-2-(4-iodoanilino)benzamide.
What is the SMILES notation for 3-fluoro-2-(4-iodoanilino)benzamide?
The canonical SMILES for 3-fluoro-2-(4-iodoanilino)benzamide is NC(=O)c1cccc(F)c1Nc1ccc(I)cc1.
What is the InChIKey of 3-fluoro-2-(4-iodoanilino)benzamide?
The InChIKey is PMOHHNULFRBMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O/c14-11-3-1-2-10(13(16)18)12(11)17-9-6-4-8(15)5-7-9/h1-7,17H,(H2,16,18).
What are the key properties of 3-fluoro-2-(4-iodoanilino)benzamide?
3-fluoro-2-(4-iodoanilino)benzamide has a molecular weight of 356.14 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-iodoanilino)benzamide is sourced from PubChem (CID 175969142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).