3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide

C10H13BrClN3O — CID 103480356

IUPAC3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
SMILESCC(C/C(N)=N/O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H13BrClN3O/c1-6(5-9(13)15-16)14-8-4-2-3-7(12)10(8)11/h2-4,6,14,16H,5H2,1H3,(H2,13,15)
InChIKeyZQRHGCFYHUSPLI-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.04
Rot. Bonds4

About 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide

3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide (PubChem CID 103480356) has the molecular formula C10H13BrClN3O and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
PubChem CID103480356
Molecular FormulaC10H13BrClN3O
Molecular Weight306.59 g/mol
Exact Mass304.99
IUPAC Name3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
SMILESCC(C/C(N)=N/O)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H13BrClN3O/c1-6(5-9(13)15-16)14-8-4-2-3-7(12)10(8)11/h2-4,6,14,16H,5H2,1H3,(H2,13,15)
InChIKeyZQRHGCFYHUSPLI-UHFFFAOYSA-N
XLogP3.04
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.04
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'}

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Related Compounds

3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
CID 104724441
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
3-(2-bromo-3-chloroanilino)butanenitrile
CID 103478968
3-(4-chloro-2-fluoroanilino)-N'-hydroxybutanimidamide
CID 77030728
3-(5-bromo-2-methylanilino)-N'-hydroxybutanimidamide
CID 77029430
3-[4-bromo-2-(trifluoromethyl)anilino]-N'-hydroxybutanimidamide
CID 77027358
1-(2-bromo-3-chlorophenyl)-2-propan-2-ylguanidine
CID 103481487
3-(2,3-dichloroanilino)butanamide
CID 82086378
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871
3-(5-bromo-4-fluoro-2-methylanilino)-N'-hydroxybutanimidamide
CID 107592821
3-(2-fluoro-4-methylanilino)-N'-hydroxybutanimidamide
CID 77028768

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide (CID 103480356) is 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide is CC(C/C(N)=N/O)Nc1cccc(Cl)c1Br.
What is the InChIKey of 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide?
The InChIKey is ZQRHGCFYHUSPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3O/c1-6(5-9(13)15-16)14-8-4-2-3-7(12)10(8)11/h2-4,6,14,16H,5H2,1H3,(H2,13,15).
What are the key properties of 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide?
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide has a molecular weight of 306.59 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 103480356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).