N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide

C12H15F2N3O3 — CID 90192869

IUPACN-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide
SMILESCNC(=O)Nc1cccc(C(F)F)c1CONC(C)=O
InChIInChI=1S/C12H15F2N3O3/c1-7(18)17-20-6-9-8(11(13)14)4-3-5-10(9)16-12(19)15-2/h3-5,11H,6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBYRYCHHLSFFUSR-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.94
Rot. Bonds5

About N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide

N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide (PubChem CID 90192869) has the molecular formula C12H15F2N3O3 and a molecular weight of 287.27 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide
PubChem CID90192869
Molecular FormulaC12H15F2N3O3
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC NameN-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide
SMILESCNC(=O)Nc1cccc(C(F)F)c1CONC(C)=O
InChIInChI=1S/C12H15F2N3O3/c1-7(18)17-20-6-9-8(11(13)14)4-3-5-10(9)16-12(19)15-2/h3-5,11H,6H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyBYRYCHHLSFFUSR-UHFFFAOYSA-N
XLogP1.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide?
The IUPAC name of N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide (CID 90192869) is N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide.
What is the SMILES notation for N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide?
The canonical SMILES for N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide is CNC(=O)Nc1cccc(C(F)F)c1CONC(C)=O.
What is the InChIKey of N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide?
The InChIKey is BYRYCHHLSFFUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O3/c1-7(18)17-20-6-9-8(11(13)14)4-3-5-10(9)16-12(19)15-2/h3-5,11H,6H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide?
N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide has a molecular weight of 287.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)-6-(methylcarbamoylamino)phenyl]methoxy]acetamide is sourced from PubChem (CID 90192869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).