3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide

C13H9FIN3O3 — CID 115549276

IUPAC3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide
SMILESNc1cccc(C(=O)Nc2ccc(F)cc2I)c1[N+](=O)[O-]
InChIInChI=1S/C13H9FIN3O3/c14-7-4-5-11(9(15)6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyDXQOYYNVCMBHEU-UHFFFAOYSA-N
MW401.14 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide

3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide (PubChem CID 115549276) has the molecular formula C13H9FIN3O3 and a molecular weight of 401.14 g/mol. Its IUPAC name is 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide
PubChem CID115549276
Molecular FormulaC13H9FIN3O3
Molecular Weight401.14 g/mol
Exact Mass400.97
IUPAC Name3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide
SMILESNc1cccc(C(=O)Nc2ccc(F)cc2I)c1[N+](=O)[O-]
InChIInChI=1S/C13H9FIN3O3/c14-7-4-5-11(9(15)6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyDXQOYYNVCMBHEU-UHFFFAOYSA-N
XLogP3.17
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.14
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 115548339
3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide
CID 115548490
2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768786
3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
CID 115548977
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
2-amino-N-(4-fluoro-2-iodophenyl)-5-methoxybenzamide
CID 79769439
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
2-(2-aminoethyl)-N-(4-fluoro-2-iodophenyl)benzamide
CID 79766785
N-(4-fluoro-2-iodophenyl)-2-hydroxy-5-iodobenzamide
CID 107731604
3-amino-N',N'-dimethyl-2-nitrobenzohydrazide
CID 83023174
3-amino-N-(2,2-difluoroethyl)-2-nitrobenzamide
CID 113333576

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide (CID 115549276) is 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide is Nc1cccc(C(=O)Nc2ccc(F)cc2I)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide?
The InChIKey is DXQOYYNVCMBHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FIN3O3/c14-7-4-5-11(9(15)6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide?
3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide has a molecular weight of 401.14 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide is sourced from PubChem (CID 115549276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).