2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C14H16FN3O2 — CID 134037064

IUPAC2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-17(8-11-7-16-18(2)9-11)14(19)10-20-13-5-3-12(15)4-6-13/h3-7,9H,8,10H2,1-2H3
InChIKeyQDCGVFLKQXCJHL-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.60
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 134037064) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID134037064
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2/c1-17(8-11-7-16-18(2)9-11)14(19)10-20-13-5-3-12(15)4-6-13/h3-7,9H,8,10H2,1-2H3
InChIKeyQDCGVFLKQXCJHL-UHFFFAOYSA-N
XLogP1.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 17376901
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
2-(2,5-dimethylphenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037059
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31850784
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515649
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 134037064) is 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(C)c1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is QDCGVFLKQXCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-17(8-11-7-16-18(2)9-11)14(19)10-20-13-5-3-12(15)4-6-13/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 134037064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).