2-amino-N-(4-fluoro-2-iodophenyl)butanediamide

C10H11FIN3O2 — CID 79766618

IUPAC2-amino-N-(4-fluoro-2-iodophenyl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H11FIN3O2/c11-5-1-2-8(6(12)3-5)15-10(17)7(13)4-9(14)16/h1-3,7H,4,13H2,(H2,14,16)(H,15,17)
InChIKeyZSDAEFAMHNJIMK-UHFFFAOYSA-N
MW351.12 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide

2-amino-N-(4-fluoro-2-iodophenyl)butanediamide (PubChem CID 79766618) has the molecular formula C10H11FIN3O2 and a molecular weight of 351.12 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-2-iodophenyl)butanediamide
PubChem CID79766618
Molecular FormulaC10H11FIN3O2
Molecular Weight351.12 g/mol
Exact Mass350.99
IUPAC Name2-amino-N-(4-fluoro-2-iodophenyl)butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1ccc(F)cc1I
InChIInChI=1S/C10H11FIN3O2/c11-5-1-2-8(6(12)3-5)15-10(17)7(13)4-9(14)16/h1-3,7H,4,13H2,(H2,14,16)(H,15,17)
InChIKeyZSDAEFAMHNJIMK-UHFFFAOYSA-N
XLogP0.57
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.12
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide 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

2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
CID 79766616
2-amino-N-(2-chloro-5-fluorophenyl)butanediamide
CID 113288249
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
CID 119955707
2-amino-N-(4-fluoro-2-iodophenyl)-2-(4-methylphenyl)acetamide
CID 106312524
3-amino-N-(4-fluoro-2-iodophenyl)-2-phenylpropanamide
CID 79766780
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]butanediamide
CID 60848978
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
3-amino-4-(2,4-difluorophenyl)-4-oxobutanamide;hydrate
CID 170876365
2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide?
The IUPAC name of 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide (CID 79766618) is 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide?
The canonical SMILES for 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide is NC(=O)CC(N)C(=O)Nc1ccc(F)cc1I.
What is the InChIKey of 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide?
The InChIKey is ZSDAEFAMHNJIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FIN3O2/c11-5-1-2-8(6(12)3-5)15-10(17)7(13)4-9(14)16/h1-3,7H,4,13H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide?
2-amino-N-(4-fluoro-2-iodophenyl)butanediamide has a molecular weight of 351.12 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-2-iodophenyl)butanediamide is sourced from PubChem (CID 79766618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).