2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide

C15H17F2N3O2 — CID 72922137

IUPAC2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
SMILESCc1cc(CC(C)NC(=O)COc2ccc(F)cc2F)n[nH]1
InChIInChI=1S/C15H17F2N3O2/c1-9(5-12-6-10(2)19-20-12)18-15(21)8-22-14-4-3-11(16)7-13(14)17/h3-4,6-7,9H,5,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAKHMKXYKPMLSGX-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.12
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide

2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide (PubChem CID 72922137) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
PubChem CID72922137
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide
SMILESCc1cc(CC(C)NC(=O)COc2ccc(F)cc2F)n[nH]1
InChIInChI=1S/C15H17F2N3O2/c1-9(5-12-6-10(2)19-20-12)18-15(21)8-22-14-4-3-11(16)7-13(14)17/h3-4,6-7,9H,5,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyAKHMKXYKPMLSGX-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide with MolForge

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Related Compounds

acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 154906225
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075
1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99716281
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
1-(2-cyano-4-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99715677
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
CID 99595123

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide (CID 72922137) is 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide is Cc1cc(CC(C)NC(=O)COc2ccc(F)cc2F)n[nH]1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
The InChIKey is AKHMKXYKPMLSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-9(5-12-6-10(2)19-20-12)18-15(21)8-22-14-4-3-11(16)7-13(14)17/h3-4,6-7,9H,5,8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide?
2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide has a molecular weight of 309.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 72922137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).