3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide

C11H13Cl2N3O2 — CID 76920661

IUPAC3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(N)=NO
InChIInChI=1S/C11H13Cl2N3O2/c1-11(2,9(14)16-18)10(17)15-6-3-4-7(12)8(13)5-6/h3-5,18H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyMRCYOUKYUKBVPS-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.70
Rot. Bonds3

About 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 76920661) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID76920661
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(N)=NO
InChIInChI=1S/C11H13Cl2N3O2/c1-11(2,9(14)16-18)10(17)15-6-3-4-7(12)8(13)5-6/h3-5,18H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyMRCYOUKYUKBVPS-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-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
CID 107811795
N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968831
3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 77069753
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919747
(2E)-2-amino-N-(3,4-dichlorophenyl)-2-hydroxyiminoacetamide
CID 53274929
3-amino-N-(2,3-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919749
3-amino-N-(5-chloro-2-fluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919373
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 116785318
3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 83087993
N-cyclohexyl-N'-(3,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108959081
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 76920661) is 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide is CC(C)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(N)=NO.
What is the InChIKey of 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is MRCYOUKYUKBVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-11(2,9(14)16-18)10(17)15-6-3-4-7(12)8(13)5-6/h3-5,18H,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-(3,4-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-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 76920661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).