3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide

C11H15ClIN3O — CID 107607002

IUPAC3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClIN3O/c1-2-8(6-11(14)16-17)15-10-4-3-7(13)5-9(10)12/h3-5,8,15,17H,2,6H2,1H3,(H2,14,16)
InChIKeyMOPLVGKHQAFRGI-UHFFFAOYSA-N
MW367.62 g/mol
LogP3.27
Rot. Bonds5

About 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide

3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide (PubChem CID 107607002) has the molecular formula C11H15ClIN3O and a molecular weight of 367.62 g/mol. Its IUPAC name is 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide
PubChem CID107607002
Molecular FormulaC11H15ClIN3O
Molecular Weight367.62 g/mol
Exact Mass366.99
IUPAC Name3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H15ClIN3O/c1-2-8(6-11(14)16-17)15-10-4-3-7(13)5-9(10)12/h3-5,8,15,17H,2,6H2,1H3,(H2,14,16)
InChIKeyMOPLVGKHQAFRGI-UHFFFAOYSA-N
XLogP3.27
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide (CID 107607002) is 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide?
The InChIKey is MOPLVGKHQAFRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN3O/c1-2-8(6-11(14)16-17)15-10-4-3-7(13)5-9(10)12/h3-5,8,15,17H,2,6H2,1H3,(H2,14,16).
What are the key properties of 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide?
3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide has a molecular weight of 367.62 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-iodoanilino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 107607002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).