2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C16H19F2N3O3 — CID 46992436

IUPAC2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1c(F)ccc(OC)c1F
InChIInChI=1S/C16H19F2N3O3/c1-20-9-11(8-19-20)10-21(6-7-23-2)16(22)14-12(17)4-5-13(24-3)15(14)18/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyYWIMYBTYDYDGLN-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.00
Rot. Bonds7

About 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 46992436) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID46992436
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1c(F)ccc(OC)c1F
InChIInChI=1S/C16H19F2N3O3/c1-20-9-11(8-19-20)10-21(6-7-23-2)16(22)14-12(17)4-5-13(24-3)15(14)18/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyYWIMYBTYDYDGLN-UHFFFAOYSA-N
XLogP2.00
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 46992436) is 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is COCCN(Cc1cnn(C)c1)C(=O)c1c(F)ccc(OC)c1F.
What is the InChIKey of 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is YWIMYBTYDYDGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-20-9-11(8-19-20)10-21(6-7-23-2)16(22)14-12(17)4-5-13(24-3)15(14)18/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 339.34 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 46992436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).