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

C23H27F3N4O — CID 165142702

IUPACN-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESCN1CCN(Cc2cc(C(=O)Nc3ccc4c(c3)N(C)CC4)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H27F3N4O/c1-28-7-9-30(10-8-28)15-16-11-18(13-19(12-16)23(24,25)26)22(31)27-20-4-3-17-5-6-29(2)21(17)14-20/h3-4,11-14H,5-10,15H2,1-2H3,(H,27,31)
InChIKeyNQANBEYWUSDVPT-UHFFFAOYSA-N
MW432.49 g/mol
LogP3.70
Rot. Bonds4

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

N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide (PubChem CID 165142702) has the molecular formula C23H27F3N4O and a molecular weight of 432.49 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide
PubChem CID165142702
Molecular FormulaC23H27F3N4O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC NameN-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide
SMILESCN1CCN(Cc2cc(C(=O)Nc3ccc4c(c3)N(C)CC4)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H27F3N4O/c1-28-7-9-30(10-8-28)15-16-11-18(13-19(12-16)23(24,25)26)22(31)27-20-4-3-17-5-6-29(2)21(17)14-20/h3-4,11-14H,5-10,15H2,1-2H3,(H,27,31)
InChIKeyNQANBEYWUSDVPT-UHFFFAOYSA-N
XLogP3.70
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide (CID 165142702) is N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide is CN1CCN(Cc2cc(C(=O)Nc3ccc4c(c3)N(C)CC4)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is NQANBEYWUSDVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O/c1-28-7-9-30(10-8-28)15-16-11-18(13-19(12-16)23(24,25)26)22(31)27-20-4-3-17-5-6-29(2)21(17)14-20/h3-4,11-14H,5-10,15H2,1-2H3,(H,27,31).
What are the key properties of N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide?
N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 432.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-6-yl)-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 165142702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).