2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide

C27H24FN3O4 — CID 24504128

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C27H24FN3O4/c1-18(32)20-10-13-24(25(14-20)34-2)35-17-26(33)29-15-21-16-31(23-6-4-3-5-7-23)30-27(21)19-8-11-22(28)12-9-19/h3-14,16H,15,17H2,1-2H3,(H,29,33)
InChIKeyLCCBMTDHAYAGGW-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.58
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide (PubChem CID 24504128) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
PubChem CID24504128
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C27H24FN3O4/c1-18(32)20-10-13-24(25(14-20)34-2)35-17-26(33)29-15-21-16-31(23-6-4-3-5-7-23)30-27(21)19-8-11-22(28)12-9-19/h3-14,16H,15,17H2,1-2H3,(H,29,33)
InChIKeyLCCBMTDHAYAGGW-UHFFFAOYSA-N
XLogP4.58
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119
2-(4-acetylphenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide
CID 24606878
2-ethoxy-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551887
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555
3-[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46295867
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 25485657
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 24551862
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515599
N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42889854

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide (CID 24504128) is 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide?
The InChIKey is LCCBMTDHAYAGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4/c1-18(32)20-10-13-24(25(14-20)34-2)35-17-26(33)29-15-21-16-31(23-6-4-3-5-7-23)30-27(21)19-8-11-22(28)12-9-19/h3-14,16H,15,17H2,1-2H3,(H,29,33).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide has a molecular weight of 473.50 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 24504128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).