N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide

C11H13F2N3O2 — CID 76928439

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide
SMILESCC(C(N)=NO)N(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N3O2/c1-6(10(14)15-18)16(2)11(17)8-4-3-7(12)5-9(8)13/h3-6,18H,1-2H3,(H2,14,15)
InChIKeyWNZVOGLUZJMMNR-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.17
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide (PubChem CID 76928439) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide
PubChem CID76928439
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide
SMILESCC(C(N)=NO)N(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N3O2/c1-6(10(14)15-18)16(2)11(17)8-4-3-7(12)5-9(8)13/h3-6,18H,1-2H3,(H2,14,15)
InChIKeyWNZVOGLUZJMMNR-UHFFFAOYSA-N
XLogP1.17
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
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

N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639471
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 76928324
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2,5-dibromo-N-methylbenzamide
CID 114375237
1-(1-amino-1-hydroxyiminopropan-2-yl)-3-(4-fluorophenyl)-1-methylurea
CID 76928364
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 76928376
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,6-dimethoxy-N-methylbenzamide
CID 76928224
2-[(2,5-difluorophenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 76928067
2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635547
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 76928306
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281571
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870193

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide (CID 76928439) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide is CC(C(N)=NO)N(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide?
The InChIKey is WNZVOGLUZJMMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-6(10(14)15-18)16(2)11(17)8-4-3-7(12)5-9(8)13/h3-6,18H,1-2H3,(H2,14,15).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide has a molecular weight of 257.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 76928439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).