5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C13H19ClIN3O — CID 107635920

IUPAC5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNc1ccc(Cl)cc1I)/C(N)=N/O
InChIInChI=1S/C13H19ClIN3O/c1-13(2,12(16)18-19)6-3-7-17-11-5-4-9(14)8-10(11)15/h4-5,8,17,19H,3,6-7H2,1-2H3,(H2,16,18)
InChIKeyZUAYRSJIHFTIGE-UHFFFAOYSA-N
MW395.67 g/mol
LogP3.91
Rot. Bonds6

About 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 107635920) has the molecular formula C13H19ClIN3O and a molecular weight of 395.67 g/mol. Its IUPAC name is 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID107635920
Molecular FormulaC13H19ClIN3O
Molecular Weight395.67 g/mol
Exact Mass395.03
IUPAC Name5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNc1ccc(Cl)cc1I)/C(N)=N/O
InChIInChI=1S/C13H19ClIN3O/c1-13(2,12(16)18-19)6-3-7-17-11-5-4-9(14)8-10(11)15/h4-5,8,17,19H,3,6-7H2,1-2H3,(H2,16,18)
InChIKeyZUAYRSJIHFTIGE-UHFFFAOYSA-N
XLogP3.91
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.67
LogP ≤ 53.91
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'}

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Related Compounds

4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045
4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908
5-(4-bromo-2-chloroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063640
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104727352
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
N-butyl-4-chloro-2-iodoaniline
CID 107632190
N'-hydroxy-2,2-dimethyl-4-(2,3,4-trifluoroanilino)butanimidamide
CID 77062052
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 107635920) is 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCNc1ccc(Cl)cc1I)/C(N)=N/O.
What is the InChIKey of 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is ZUAYRSJIHFTIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClIN3O/c1-13(2,12(16)18-19)6-3-7-17-11-5-4-9(14)8-10(11)15/h4-5,8,17,19H,3,6-7H2,1-2H3,(H2,16,18).
What are the key properties of 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 395.67 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 107635920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).