2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C16H19F2N3O3 — CID 50961096

IUPAC2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H19F2N3O3/c1-20-10-12(9-19-20)11-21(7-8-23-2)15(22)13-5-3-4-6-14(13)24-16(17)18/h3-6,9-10,16H,7-8,11H2,1-2H3
InChIKeyUSBSOLFQERGTEP-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.31
Rot. Bonds8

About 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 50961096) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID50961096
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H19F2N3O3/c1-20-10-12(9-19-20)11-21(7-8-23-2)15(22)13-5-3-4-6-14(13)24-16(17)18/h3-6,9-10,16H,7-8,11H2,1-2H3
InChIKeyUSBSOLFQERGTEP-UHFFFAOYSA-N
XLogP2.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 50961096) is 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is COCCN(Cc1cnn(C)c1)C(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is USBSOLFQERGTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-20-10-12(9-19-20)11-21(7-8-23-2)15(22)13-5-3-4-6-14(13)24-16(17)18/h3-6,9-10,16H,7-8,11H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 339.34 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 50961096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).