2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C19H17F2N3O2 — CID 4775020

IUPAC2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccccc1COc1ccc(F)cc1F
InChIInChI=1S/C19H17F2N3O2/c1-24-15(8-9-23-24)11-22-19(25)16-5-3-2-4-13(16)12-26-18-7-6-14(20)10-17(18)21/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyCVZHRNWBFBQQCM-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.21
Rot. Bonds6

About 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 4775020) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID4775020
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1ccccc1COc1ccc(F)cc1F
InChIInChI=1S/C19H17F2N3O2/c1-24-15(8-9-23-24)11-22-19(25)16-5-3-2-4-13(16)12-26-18-7-6-14(20)10-17(18)21/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyCVZHRNWBFBQQCM-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 4775020) is 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1ccccc1COc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is CVZHRNWBFBQQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-24-15(8-9-23-24)11-22-19(25)16-5-3-2-4-13(16)12-26-18-7-6-14(20)10-17(18)21/h2-10H,11-12H2,1H3,(H,22,25).
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 357.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 4775020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).