N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide

C26H22FN3O3 — CID 2398145

IUPACN-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
SMILESCCc1ccc(NC(=O)COc2ccc(F)cc2C(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H22FN3O3/c1-2-18-8-11-21(12-9-18)29-25(31)17-33-24-13-10-20(27)14-23(24)26(32)19-15-28-30(16-19)22-6-4-3-5-7-22/h3-16H,2,17H2,1H3,(H,29,31)
InChIKeyRIPKIWNEJVCXMJ-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.82
Rot. Bonds8

About N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide

N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide (PubChem CID 2398145) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
PubChem CID2398145
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC NameN-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
SMILESCCc1ccc(NC(=O)COc2ccc(F)cc2C(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C26H22FN3O3/c1-2-18-8-11-21(12-9-18)29-25(31)17-33-24-13-10-20(27)14-23(24)26(32)19-15-28-30(16-19)22-6-4-3-5-7-22/h3-16H,2,17H2,1H3,(H,29,31)
InChIKeyRIPKIWNEJVCXMJ-UHFFFAOYSA-N
XLogP4.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417459
4-fluoro-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417460
4-methyl-2-(1-phenyl-1H-pyrazole-4-carbonyl)phenoxyacetic acid
CID 44417462
3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-yloxyacetic acid
CID 44417467
[3',5'-difluoro-3-(1-phenyl-1H-pyrazole-4-carbonyl)biphenyl-4-yloxy]acetic acid
CID 44417474
1-[4-(5-Fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone
CID 2116207
2-[6-ethyl-2-methyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl]oxy-N-(3-methylphenyl)acetamide
CID 2345722
N-[(2-methoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 2708937
3-(4-fluorophenyl)-N-[(E)-(4-oxochromen-3-yl)methylideneamino]-1-phenylpyrazole-4-carboxamide
CID 6900126
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 16232627
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 16325700

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide (CID 2398145) is N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide is CCc1ccc(NC(=O)COc2ccc(F)cc2C(=O)c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
The InChIKey is RIPKIWNEJVCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-2-18-8-11-21(12-9-18)29-25(31)17-33-24-13-10-20(27)14-23(24)26(32)19-15-28-30(16-19)22-6-4-3-5-7-22/h3-16H,2,17H2,1H3,(H,29,31).
What are the key properties of N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide?
N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide has a molecular weight of 443.48 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 2398145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).