2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide

C20H20FN3O2 — CID 86988869

IUPAC2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H20FN3O2/c1-20(2,26-18-10-6-16(21)7-11-18)19(25)22-14-15-4-8-17(9-5-15)24-13-3-12-23-24/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyCRAFONHVAFGDFI-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.49
Rot. Bonds6

About 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide

2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide (PubChem CID 86988869) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide
PubChem CID86988869
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H20FN3O2/c1-20(2,26-18-10-6-16(21)7-11-18)19(25)22-14-15-4-8-17(9-5-15)24-13-3-12-23-24/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyCRAFONHVAFGDFI-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenoxy)-2-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 86965050
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 100664586
2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 86990106
2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 86990942
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111677695
tert-butyl N-[(2S)-1-oxo-1-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-yl]carbamate
CID 94462168
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 51100264

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide (CID 86988869) is 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide is CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide?
The InChIKey is CRAFONHVAFGDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-20(2,26-18-10-6-16(21)7-11-18)19(25)22-14-15-4-8-17(9-5-15)24-13-3-12-23-24/h3-13H,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide?
2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 86988869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).