N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide

C10H14IN3O — CID 77030216

IUPACN'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide
SMILESCC(CNc1ccc(I)cc1)C(N)=NO
InChIInChI=1S/C10H14IN3O/c1-7(10(12)14-15)6-13-9-4-2-8(11)3-5-9/h2-5,7,13,15H,6H2,1H3,(H2,12,14)
InChIKeyBWWJVSNZCWHJBI-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.09
Rot. Bonds4

About N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide

N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide (PubChem CID 77030216) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide
PubChem CID77030216
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC NameN'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide
SMILESCC(CNc1ccc(I)cc1)C(N)=NO
InChIInChI=1S/C10H14IN3O/c1-7(10(12)14-15)6-13-9-4-2-8(11)3-5-9/h2-5,7,13,15H,6H2,1H3,(H2,12,14)
InChIKeyBWWJVSNZCWHJBI-UHFFFAOYSA-N
XLogP2.09
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromo-3-methoxyanilino)-N'-hydroxy-2-methylpropanimidamide
CID 82868251
2-amino-3-(4-iodoanilino)propanamide
CID 103236780
N'-hydroxy-3-[(4-iodophenyl)methyl-methylamino]-2-methylpropanimidamide
CID 77070215
3-(2,4-difluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027484
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
CID 76952996
3-(5-fluoro-2-methylanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77029557
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-ylanilino)methyl]propanimidamide
CID 103369528
3-anilino-2-methylpropanethioamide
CID 82075999
3-(2-chloro-4-fluoroanilino)-N'-hydroxy-2-methylpropanimidamide
CID 77027933
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxyanilino)methyl]propanimidamide
CID 103369598
3-(4-acetamidoanilino)-2-methylpropanamide
CID 43311999
N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
CID 102906431

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide (CID 77030216) is N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide is CC(CNc1ccc(I)cc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide?
The InChIKey is BWWJVSNZCWHJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-7(10(12)14-15)6-13-9-4-2-8(11)3-5-9/h2-5,7,13,15H,6H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide?
N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide has a molecular weight of 319.15 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-iodoanilino)-2-methylpropanimidamide is sourced from PubChem (CID 77030216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).