3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide

C11H12ClF2N3O2 — CID 83087993

IUPAC3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1c(F)cc(F)cc1Cl)C(N)=NO
InChIInChI=1S/C11H12ClF2N3O2/c1-11(2,9(15)17-19)10(18)16-8-6(12)3-5(13)4-7(8)14/h3-4,19H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyVBUKJBBIQXCLOX-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.33
Rot. Bonds3

About 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 83087993) has the molecular formula C11H12ClF2N3O2 and a molecular weight of 291.69 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID83087993
Molecular FormulaC11H12ClF2N3O2
Molecular Weight291.69 g/mol
Exact Mass291.06
IUPAC Name3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1c(F)cc(F)cc1Cl)C(N)=NO
InChIInChI=1S/C11H12ClF2N3O2/c1-11(2,9(15)17-19)10(18)16-8-6(12)3-5(13)4-7(8)14/h3-4,19H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyVBUKJBBIQXCLOX-UHFFFAOYSA-N
XLogP2.33
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.33
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

(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 107645731
3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 77069753
3-amino-N-(5-chloro-2-fluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919373
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661
N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103878394
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
N-(2-chloro-4,6-difluorophenyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 83073829
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 83088109
3-amino-N-(2,3-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919749
(3Z)-3-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 104724954
3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919712

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide (CID 83087993) is 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide is CC(C)(C(=O)Nc1c(F)cc(F)cc1Cl)C(N)=NO.
What is the InChIKey of 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is VBUKJBBIQXCLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N3O2/c1-11(2,9(15)17-19)10(18)16-8-6(12)3-5(13)4-7(8)14/h3-4,19H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 291.69 g/mol, XLogP of 2.33, 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-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 83087993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).