2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide

C17H13F2N3O2 — CID 99835429

IUPAC2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C17H13F2N3O2/c18-11-5-6-15(14(19)9-11)22-8-7-12(21-22)10-24-16-4-2-1-3-13(16)17(20)23/h1-9H,10H2,(H2,20,23)
InChIKeyNKUUAZBVBDSWJE-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.83
Rot. Bonds5

About 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide

2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide (PubChem CID 99835429) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide
PubChem CID99835429
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1ccn(-c2ccc(F)cc2F)n1
InChIInChI=1S/C17H13F2N3O2/c18-11-5-6-15(14(19)9-11)22-8-7-12(21-22)10-24-16-4-2-1-3-13(16)17(20)23/h1-9H,10H2,(H2,20,23)
InChIKeyNKUUAZBVBDSWJE-UHFFFAOYSA-N
XLogP2.83
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-5-fluorophenyl)methoxy]benzamide
CID 43443894
(3S,4S)-1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-methylpyrrolidine-3-carboxamide
CID 154745401
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
2-[(5-bromo-2-pyridinyl)methoxy]benzamide
CID 104809676
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
1-(2,4-difluorophenyl)-3-[1-(2,4-difluorophenyl)pyrazol-3-yl]oxypyrazole
CID 58704714
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
2-[(5-hydrazinylpyrazin-2-yl)methoxy]benzamide
CID 103061902
4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4774859
2-(3-amino-1,2,4-triazol-1-yl)-5-fluorobenzamide
CID 63673140
2-[(2-amino-4-pyridinyl)methoxy]benzamide
CID 62463915

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide?
The IUPAC name of 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide (CID 99835429) is 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide?
The canonical SMILES for 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide is NC(=O)c1ccccc1OCc1ccn(-c2ccc(F)cc2F)n1.
What is the InChIKey of 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide?
The InChIKey is NKUUAZBVBDSWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-11-5-6-15(14(19)9-11)22-8-7-12(21-22)10-24-16-4-2-1-3-13(16)17(20)23/h1-9H,10H2,(H2,20,23).
What are the key properties of 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide?
2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide has a molecular weight of 329.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methoxy]benzamide is sourced from PubChem (CID 99835429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).