N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C18H24FN3O2 — CID 46995267

IUPACN-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCCN(CCOc1ccccc1F)C(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C18H24FN3O2/c1-5-21(10-11-24-17-9-7-6-8-16(17)19)18(23)12-22-15(4)13(2)14(3)20-22/h6-9H,5,10-12H2,1-4H3
InChIKeyAHZZTSLUBMGYGH-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.87
Rot. Bonds7

About N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 46995267) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
PubChem CID46995267
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
SMILESCCN(CCOc1ccccc1F)C(=O)Cn1nc(C)c(C)c1C
InChIInChI=1S/C18H24FN3O2/c1-5-21(10-11-24-17-9-7-6-8-16(17)19)18(23)12-22-15(4)13(2)14(3)20-22/h6-9H,5,10-12H2,1-4H3
InChIKeyAHZZTSLUBMGYGH-UHFFFAOYSA-N
XLogP2.87
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate
CID 61012668
2-[1-[2-(2-fluorophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]ethanol
CID 75522129
N-(2-methoxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 46996185
N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
CID 46656087
2-[3-(3,4,5-trimethylpyrazol-1-yl)propoxy]benzoic acid
CID 63072882
4-(2-fluorophenoxy)butan-2-one
CID 28948853
N-[2-(2-fluorophenoxy)ethyl]-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 60958776
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
(2S)-1-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 92596284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 46995267) is N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is CCN(CCOc1ccccc1F)C(=O)Cn1nc(C)c(C)c1C.
What is the InChIKey of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
The InChIKey is AHZZTSLUBMGYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-5-21(10-11-24-17-9-7-6-8-16(17)19)18(23)12-22-15(4)13(2)14(3)20-22/h6-9H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 46995267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).