4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide

C11H15Br2N3O — CID 77028778

IUPAC4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide
SMILESCc1cc(Br)c(NCCCC(N)=NO)c(Br)c1
InChIInChI=1S/C11H15Br2N3O/c1-7-5-8(12)11(9(13)6-7)15-4-2-3-10(14)16-17/h5-6,15,17H,2-4H2,1H3,(H2,14,16)
InChIKeyRPAPYWHBTKHWJE-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.46
Rot. Bonds5

About 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide

4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide (PubChem CID 77028778) has the molecular formula C11H15Br2N3O and a molecular weight of 365.07 g/mol. Its IUPAC name is 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide
PubChem CID77028778
Molecular FormulaC11H15Br2N3O
Molecular Weight365.07 g/mol
Exact Mass362.96
IUPAC Name4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide
SMILESCc1cc(Br)c(NCCCC(N)=NO)c(Br)c1
InChIInChI=1S/C11H15Br2N3O/c1-7-5-8(12)11(9(13)6-7)15-4-2-3-10(14)16-17/h5-6,15,17H,2-4H2,1H3,(H2,14,16)
InChIKeyRPAPYWHBTKHWJE-UHFFFAOYSA-N
XLogP3.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.46
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': '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 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide (CID 77028778) is 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide is Cc1cc(Br)c(NCCCC(N)=NO)c(Br)c1.
What is the InChIKey of 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide?
The InChIKey is RPAPYWHBTKHWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2N3O/c1-7-5-8(12)11(9(13)6-7)15-4-2-3-10(14)16-17/h5-6,15,17H,2-4H2,1H3,(H2,14,16).
What are the key properties of 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide?
4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide has a molecular weight of 365.07 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dibromo-4-methylanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77028778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).