N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide

C21H16ClF3N4O2 — CID 123137078

IUPACN-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C2C(=O)Nc3ccc(C(F)(F)F)cc32)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClF3N4O2/c1-11(30)27-19-16(9-26-29(19)10-12-2-5-14(22)6-3-12)18-15-8-13(21(23,24)25)4-7-17(15)28-20(18)31/h2-9,18H,10H2,1H3,(H,27,30)(H,28,31)
InChIKeyUUEYGEWECIMAKV-UHFFFAOYSA-N
MW448.83 g/mol
LogP4.65
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide

N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide (PubChem CID 123137078) has the molecular formula C21H16ClF3N4O2 and a molecular weight of 448.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide
PubChem CID123137078
Molecular FormulaC21H16ClF3N4O2
Molecular Weight448.83 g/mol
Exact Mass448.09
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C2C(=O)Nc3ccc(C(F)(F)F)cc32)cnn1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClF3N4O2/c1-11(30)27-19-16(9-26-29(19)10-12-2-5-14(22)6-3-12)18-15-8-13(21(23,24)25)4-7-17(15)28-20(18)31/h2-9,18H,10H2,1H3,(H,27,30)(H,28,31)
InChIKeyUUEYGEWECIMAKV-UHFFFAOYSA-N
XLogP4.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.83
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide (CID 123137078) is N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide is CC(=O)Nc1c(C2C(=O)Nc3ccc(C(F)(F)F)cc32)cnn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide?
The InChIKey is UUEYGEWECIMAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O2/c1-11(30)27-19-16(9-26-29(19)10-12-2-5-14(22)6-3-12)18-15-8-13(21(23,24)25)4-7-17(15)28-20(18)31/h2-9,18H,10H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide?
N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide has a molecular weight of 448.83 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-4-[2-oxo-5-(trifluoromethyl)-1,3-dihydroindol-3-yl]pyrazol-5-yl]acetamide is sourced from PubChem (CID 123137078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).