2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide

C11H15BrIN3O2 — CID 114266392

IUPAC2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide
SMILESCC(OCCNc1cc(Br)ccc1I)/C(N)=N/O
InChIInChI=1S/C11H15BrIN3O2/c1-7(11(14)16-17)18-5-4-15-10-6-8(12)2-3-9(10)13/h2-3,6-7,15,17H,4-5H2,1H3,(H2,14,16)
InChIKeySCASIYQMKYCVOT-UHFFFAOYSA-N
MW428.07 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide

2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide (PubChem CID 114266392) has the molecular formula C11H15BrIN3O2 and a molecular weight of 428.07 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide
PubChem CID114266392
Molecular FormulaC11H15BrIN3O2
Molecular Weight428.07 g/mol
Exact Mass426.94
IUPAC Name2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide
SMILESCC(OCCNc1cc(Br)ccc1I)/C(N)=N/O
InChIInChI=1S/C11H15BrIN3O2/c1-7(11(14)16-17)18-5-4-15-10-6-8(12)2-3-9(10)13/h2-3,6-7,15,17H,4-5H2,1H3,(H2,14,16)
InChIKeySCASIYQMKYCVOT-UHFFFAOYSA-N
XLogP2.62
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.07
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[2-(3-bromo-4-methylanilino)ethoxy]-N'-hydroxypropanimidamide
CID 114266325
1-(5-bromo-2-iodoanilino)propan-2-ol
CID 130499138
ethyl 2-[2-(5-bromo-2-iodoanilino)ethoxy]acetate
CID 114260627
5-bromo-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 61485193
4-bromo-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine;ethane
CID 145256343
5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154
2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide
CID 77055072
N-(5-bromo-2-iodophenyl)-2-methoxypropanamide
CID 47403053
5-bromo-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 114895973
3-(5-bromo-2-iodoanilino)-2-hydroxypropanoic acid
CID 130593910
3-(5-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77029430
N'-hydroxy-2-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethoxy]propanimidamide
CID 114266338

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide (CID 114266392) is 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide is CC(OCCNc1cc(Br)ccc1I)/C(N)=N/O.
What is the InChIKey of 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide?
The InChIKey is SCASIYQMKYCVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrIN3O2/c1-7(11(14)16-17)18-5-4-15-10-6-8(12)2-3-9(10)13/h2-3,6-7,15,17H,4-5H2,1H3,(H2,14,16).
What are the key properties of 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide?
2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide has a molecular weight of 428.07 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-iodoanilino)ethoxy]-N'-hydroxypropanimidamide is sourced from PubChem (CID 114266392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).