2-amino-3-(4-iodoanilino)propanamide

C9H12IN3O — CID 103236780

IUPAC2-amino-3-(4-iodoanilino)propanamide
SMILESNC(=O)C(N)CNc1ccc(I)cc1
InChIInChI=1S/C9H12IN3O/c10-6-1-3-7(4-2-6)13-5-8(11)9(12)14/h1-4,8,13H,5,11H2,(H2,12,14)
InChIKeyFNUKFVXOLWLJIJ-UHFFFAOYSA-N
MW305.12 g/mol
LogP0.52
Rot. Bonds4

About 2-amino-3-(4-iodoanilino)propanamide

2-amino-3-(4-iodoanilino)propanamide (PubChem CID 103236780) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-amino-3-(4-iodoanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-iodoanilino)propanamide
PubChem CID103236780
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name2-amino-3-(4-iodoanilino)propanamide
SMILESNC(=O)C(N)CNc1ccc(I)cc1
InChIInChI=1S/C9H12IN3O/c10-6-1-3-7(4-2-6)13-5-8(11)9(12)14/h1-4,8,13H,5,11H2,(H2,12,14)
InChIKeyFNUKFVXOLWLJIJ-UHFFFAOYSA-N
XLogP0.52
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-(4-iodoanilino)propanamide 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-3-(4-bromo-3-methylanilino)propanamide
CID 103232914
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 103233841
2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602
2-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682
N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide
CID 77030216
2-(4-iodoanilino)butanamide
CID 62900403
2-amino-3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 103256769
2-amino-3-[3-bromo-4-(trifluoromethoxy)anilino]propanamide
CID 107336597
2-amino-3-(4-propan-2-ylanilino)propanoic acid
CID 103233337
2-amino-3-(3,4-dimethylanilino)propanoic acid
CID 103234153
3-(4-iodoanilino)propanoic acid
CID 28976553
N,N'-bis(4-iodophenyl)methanediamine
CID 102159523

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-iodoanilino)propanamide?
The IUPAC name of 2-amino-3-(4-iodoanilino)propanamide (CID 103236780) is 2-amino-3-(4-iodoanilino)propanamide.
What is the SMILES notation for 2-amino-3-(4-iodoanilino)propanamide?
The canonical SMILES for 2-amino-3-(4-iodoanilino)propanamide is NC(=O)C(N)CNc1ccc(I)cc1.
What is the InChIKey of 2-amino-3-(4-iodoanilino)propanamide?
The InChIKey is FNUKFVXOLWLJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c10-6-1-3-7(4-2-6)13-5-8(11)9(12)14/h1-4,8,13H,5,11H2,(H2,12,14).
What are the key properties of 2-amino-3-(4-iodoanilino)propanamide?
2-amino-3-(4-iodoanilino)propanamide has a molecular weight of 305.12 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-iodoanilino)propanamide is sourced from PubChem (CID 103236780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).