2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H15ClFN3O2 — CID 7699865

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O2/c1-8-14(9(2)19(3)18-8)17-13(20)7-21-10-4-5-12(16)11(15)6-10/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyVXCWEGGZLIQMHU-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.85
Rot. Bonds4

About 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 7699865) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID7699865
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O2/c1-8-14(9(2)19(3)18-8)17-13(20)7-21-10-4-5-12(16)11(15)6-10/h4-6H,7H2,1-3H3,(H,17,20)
InChIKeyVXCWEGGZLIQMHU-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4-{[(3-chlorophenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507424
ethyl {3,5-dimethyl-4-[(phenoxyacetyl)amino]-1H-pyrazol-1-yl}acetate
CID 1506939
2-(2-chloro-4-fluorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2537230
2-(2-bromo-4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8096034
ethyl (4-{[(4-methoxyphenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506940
2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 4825974
2-(2-bromo-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354025
1-[2-(3-Chlorophenoxy)ethyl]-3,5-dimethyl-4-nitropyrazole
CID 18074730
ethyl (4-{[(4-chloro-2-methylphenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507000
2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 25163660
N-[1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 39854000
2-Phenoxy-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 42894059

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 7699865) is 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is VXCWEGGZLIQMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-8-14(9(2)19(3)18-8)17-13(20)7-21-10-4-5-12(16)11(15)6-10/h4-6H,7H2,1-3H3,(H,17,20).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 311.74 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 7699865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).