2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide

C21H16ClF3N4O2 — CID 57458315

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C21H16ClF3N4O2/c22-15-6-2-4-8-17(15)29-20(10-18(28-29)21(23,24)25)31-12-19(30)26-11-14-9-13-5-1-3-7-16(13)27-14/h1-10,27H,11-12H2,(H,26,30)
InChIKeyMMLNWZJNZHAYAV-UHFFFAOYSA-N
MW448.83 g/mol
LogP4.72
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide (PubChem CID 57458315) has the molecular formula C21H16ClF3N4O2 and a molecular weight of 448.83 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide
PubChem CID57458315
Molecular FormulaC21H16ClF3N4O2
Molecular Weight448.83 g/mol
Exact Mass448.09
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C21H16ClF3N4O2/c22-15-6-2-4-8-17(15)29-20(10-18(28-29)21(23,24)25)31-12-19(30)26-11-14-9-13-5-1-3-7-16(13)27-14/h1-10,27H,11-12H2,(H,26,30)
InChIKeyMMLNWZJNZHAYAV-UHFFFAOYSA-N
XLogP4.72
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.83
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide (CID 57458315) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)NCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide?
The InChIKey is MMLNWZJNZHAYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O2/c22-15-6-2-4-8-17(15)29-20(10-18(28-29)21(23,24)25)31-12-19(30)26-11-14-9-13-5-1-3-7-16(13)27-14/h1-10,27H,11-12H2,(H,26,30).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide has a molecular weight of 448.83 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide is sourced from PubChem (CID 57458315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).