4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

C12H17Cl2N3O — CID 77061870

IUPAC4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNc1ccc(Cl)c(Cl)c1)C(N)=NO
InChIInChI=1S/C12H17Cl2N3O/c1-12(2,11(15)17-18)5-6-16-8-3-4-9(13)10(14)7-8/h3-4,7,16,18H,5-6H2,1-2H3,(H2,15,17)
InChIKeyQPSUCXCBOHUBBE-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.57
Rot. Bonds5

About 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77061870) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77061870
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNc1ccc(Cl)c(Cl)c1)C(N)=NO
InChIInChI=1S/C12H17Cl2N3O/c1-12(2,11(15)17-18)5-6-16-8-3-4-9(13)10(14)7-8/h3-4,7,16,18H,5-6H2,1-2H3,(H2,15,17)
InChIKeyQPSUCXCBOHUBBE-UHFFFAOYSA-N
XLogP3.57
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.57
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

4-[4-chloro-3-(trifluoromethyl)anilino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062121
4-(2-chloro-5-fluoroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 107528785
5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
4-(4-bromo-3-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062127
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
5-(3,4-dichloroanilino)-N'-hydroxypentanimidamide
CID 77026091
N'-hydroxy-2,2-dimethyl-4-(4-methylsulfanylanilino)butanimidamide
CID 77061906
N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
CID 77061838
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
4-(2,3-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062239
4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230
4-(3-fluoro-5-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79049505

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77061870) is 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCNc1ccc(Cl)c(Cl)c1)C(N)=NO.
What is the InChIKey of 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is QPSUCXCBOHUBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-12(2,11(15)17-18)5-6-16-8-3-4-9(13)10(14)7-8/h3-4,7,16,18H,5-6H2,1-2H3,(H2,15,17).
What are the key properties of 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 290.19 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).