3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide

C11H15BrClN3O — CID 104724441

IUPAC3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
SMILESCc1cc(Br)c(NC(C)C/C(N)=N/O)cc1Cl
InChIInChI=1S/C11H15BrClN3O/c1-6-3-8(12)10(5-9(6)13)15-7(2)4-11(14)16-17/h3,5,7,15,17H,4H2,1-2H3,(H2,14,16)
InChIKeyMRUOLXRUGOXNPF-UHFFFAOYSA-N
MW320.62 g/mol
LogP3.35
Rot. Bonds4

About 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide

3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide (PubChem CID 104724441) has the molecular formula C11H15BrClN3O and a molecular weight of 320.62 g/mol. Its IUPAC name is 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
PubChem CID104724441
Molecular FormulaC11H15BrClN3O
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC Name3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
SMILESCc1cc(Br)c(NC(C)C/C(N)=N/O)cc1Cl
InChIInChI=1S/C11H15BrClN3O/c1-6-3-8(12)10(5-9(6)13)15-7(2)4-11(14)16-17/h3,5,7,15,17H,4H2,1-2H3,(H2,14,16)
InChIKeyMRUOLXRUGOXNPF-UHFFFAOYSA-N
XLogP3.35
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 53.35
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
3-(5-bromo-4-fluoro-2-methylanilino)-N'-hydroxybutanimidamide
CID 107592821
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356
3-(5-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77029430
3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
3-(4-chloro-2-fluoroanilino)-N'-hydroxybutanimidamide
CID 77030728
3-(2-bromo-5-chloro-4-methylanilino)-2-methylpropanamide
CID 104723467
3-[4-bromo-2-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77027358
N-(2-bromo-5-chloro-4-methylphenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
CID 104724960
3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028768
methyl 2-(2-bromo-5-chloro-4-methylanilino)butanoate
CID 113445425
3-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726951

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide (CID 104724441) is 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide is Cc1cc(Br)c(NC(C)C/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide?
The InChIKey is MRUOLXRUGOXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O/c1-6-3-8(12)10(5-9(6)13)15-7(2)4-11(14)16-17/h3,5,7,15,17H,4H2,1-2H3,(H2,14,16).
What are the key properties of 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide?
3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide has a molecular weight of 320.62 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 104724441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).