3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide

C27H25F3N4O3 — CID 59804287

IUPAC3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide
SMILESCN1CCN(c2cc(C(=O)Nc3cccc(Oc4ccc5c(c4)NC(=O)C5)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H25F3N4O3/c1-33-7-9-34(10-8-33)21-12-18(11-19(14-21)27(28,29)30)26(36)31-20-3-2-4-22(15-20)37-23-6-5-17-13-25(35)32-24(17)16-23/h2-6,11-12,14-16H,7-10,13H2,1H3,(H,31,36)(H,32,35)
InChIKeyMZULUAZTDSWLRT-UHFFFAOYSA-N
MW510.52 g/mol
LogP5.00
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide

3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 59804287) has the molecular formula C27H25F3N4O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide
PubChem CID59804287
Molecular FormulaC27H25F3N4O3
Molecular Weight510.52 g/mol
Exact Mass510.19
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide
SMILESCN1CCN(c2cc(C(=O)Nc3cccc(Oc4ccc5c(c4)NC(=O)C5)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C27H25F3N4O3/c1-33-7-9-34(10-8-33)21-12-18(11-19(14-21)27(28,29)30)26(36)31-20-3-2-4-22(15-20)37-23-6-5-17-13-25(35)32-24(17)16-23/h2-6,11-12,14-16H,7-10,13H2,1H3,(H,31,36)(H,32,35)
InChIKeyMZULUAZTDSWLRT-UHFFFAOYSA-N
XLogP5.00
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide (CID 59804287) is 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide is CN1CCN(c2cc(C(=O)Nc3cccc(Oc4ccc5c(c4)NC(=O)C5)c3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is MZULUAZTDSWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3/c1-33-7-9-34(10-8-33)21-12-18(11-19(14-21)27(28,29)30)26(36)31-20-3-2-4-22(15-20)37-23-6-5-17-13-25(35)32-24(17)16-23/h2-6,11-12,14-16H,7-10,13H2,1H3,(H,31,36)(H,32,35).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide?
3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 510.52 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59804287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).