4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide

C10H13FIN3O — CID 79766667

IUPAC4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide
SMILESNC(CCCNc1ccc(F)cc1I)=NO
InChIInChI=1S/C10H13FIN3O/c11-7-3-4-9(8(12)6-7)14-5-1-2-10(13)15-16/h3-4,6,14,16H,1-2,5H2,(H2,13,15)
InChIKeyGDDXRFRKFBBRLI-UHFFFAOYSA-N
MW337.14 g/mol
LogP2.37
Rot. Bonds5

About 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide

4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide (PubChem CID 79766667) has the molecular formula C10H13FIN3O and a molecular weight of 337.14 g/mol. Its IUPAC name is 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide
PubChem CID79766667
Molecular FormulaC10H13FIN3O
Molecular Weight337.14 g/mol
Exact Mass337.01
IUPAC Name4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide
SMILESNC(CCCNc1ccc(F)cc1I)=NO
InChIInChI=1S/C10H13FIN3O/c11-7-3-4-9(8(12)6-7)14-5-1-2-10(13)15-16/h3-4,6,14,16H,1-2,5H2,(H2,13,15)
InChIKeyGDDXRFRKFBBRLI-UHFFFAOYSA-N
XLogP2.37
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-chloro-4-fluoroanilino)-N'-hydroxybutanimidamide
CID 77028777
3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
CID 107528793
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696
4-(4-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77026809
4-[(2,5-difluorophenyl)methylamino]-N'-hydroxybutanimidamide
CID 77028287
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
N-(3-ethoxypropyl)-4-fluoro-2-iodoaniline
CID 79769660
4-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76953333
5-(2-chloro-5-iodoanilino)-N'-hydroxypentanimidamide
CID 114260347
N'-hydroxy-4-(2-methylanilino)butanimidamide
CID 77025856
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102606

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide (CID 79766667) is 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide is NC(CCCNc1ccc(F)cc1I)=NO.
What is the InChIKey of 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide?
The InChIKey is GDDXRFRKFBBRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FIN3O/c11-7-3-4-9(8(12)6-7)14-5-1-2-10(13)15-16/h3-4,6,14,16H,1-2,5H2,(H2,13,15).
What are the key properties of 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide?
4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide has a molecular weight of 337.14 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-iodoanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 79766667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).