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

C19H18FN3O2 — CID 8961646

IUPAC2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-22(19(24)14-25-18-9-7-16(20)8-10-18)12-15-11-21-23(13-15)17-5-3-2-4-6-17/h2-11,13H,12,14H2,1H3
InChIKeyGXBUTIGMBTUWGF-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.05
Rot. Bonds6

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

2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 8961646) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID8961646
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-22(19(24)14-25-18-9-7-16(20)8-10-18)12-15-11-21-23(13-15)17-5-3-2-4-6-17/h2-11,13H,12,14H2,1H3
InChIKeyGXBUTIGMBTUWGF-UHFFFAOYSA-N
XLogP3.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037064
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134039417
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 70764529
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648761

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 8961646) is 2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is GXBUTIGMBTUWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-22(19(24)14-25-18-9-7-16(20)8-10-18)12-15-11-21-23(13-15)17-5-3-2-4-6-17/h2-11,13H,12,14H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 3.05, 6 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-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 8961646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).