2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide

C22H25F3N2O2 — CID 56560374

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide
SMILESCC1Cc2ccccc2N1Cc1occc1C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C22H25F3N2O2/c1-14-11-15-5-2-3-8-19(15)27(14)13-20-18(9-10-29-20)21(28)26-17-7-4-6-16(12-17)22(23,24)25/h2-3,5,8-10,14,16-17H,4,6-7,11-13H2,1H3,(H,26,28)
InChIKeyLRCSAJXAUPFRIY-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.08
Rot. Bonds4

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide (PubChem CID 56560374) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide
PubChem CID56560374
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide
SMILESCC1Cc2ccccc2N1Cc1occc1C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C22H25F3N2O2/c1-14-11-15-5-2-3-8-19(15)27(14)13-20-18(9-10-29-20)21(28)26-17-7-4-6-16(12-17)22(23,24)25/h2-3,5,8-10,14,16-17H,4,6-7,11-13H2,1H3,(H,26,28)
InChIKeyLRCSAJXAUPFRIY-UHFFFAOYSA-N
XLogP5.08
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide (CID 56560374) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide is CC1Cc2ccccc2N1Cc1occc1C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide?
The InChIKey is LRCSAJXAUPFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-14-11-15-5-2-3-8-19(15)27(14)13-20-18(9-10-29-20)21(28)26-17-7-4-6-16(12-17)22(23,24)25/h2-3,5,8-10,14,16-17H,4,6-7,11-13H2,1H3,(H,26,28).
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-[3-(trifluoromethyl)cyclohexyl]furan-3-carboxamide is sourced from PubChem (CID 56560374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).