3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide

C11H13Cl2N3O2 — CID 77069753

IUPAC3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1c(Cl)cccc1Cl)C(N)=NO
InChIInChI=1S/C11H13Cl2N3O2/c1-11(2,9(14)16-18)10(17)15-8-6(12)4-3-5-7(8)13/h3-5,18H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyOJDSRGYJHINDTH-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.70
Rot. Bonds3

About 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 77069753) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID77069753
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1c(Cl)cccc1Cl)C(N)=NO
InChIInChI=1S/C11H13Cl2N3O2/c1-11(2,9(14)16-18)10(17)15-8-6(12)4-3-5-7(8)13/h3-5,18H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyOJDSRGYJHINDTH-UHFFFAOYSA-N
XLogP2.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.70
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-amino-N-(2,3-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919749
3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919712
(3Z)-3-amino-N-(2-chloro-3-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 114251779
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661
3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 83087993
3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
CID 107811795
3-amino-N-(5-chloro-2-fluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919373
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 116785318
2-cyano-N-(2,6-dichlorophenyl)-2-methylpropanamide
CID 55208118
(3Z)-3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 104724954
N-(2-chlorophenyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanamide
CID 113270737
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813361

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 77069753) is 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide is CC(C)(C(=O)Nc1c(Cl)cccc1Cl)C(N)=NO.
What is the InChIKey of 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is OJDSRGYJHINDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-11(2,9(14)16-18)10(17)15-8-6(12)4-3-5-7(8)13/h3-5,18H,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 290.15 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 77069753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).