N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide

C23H27F3N2O4 — CID 2969677

IUPACN-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(NC(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C23H27F3N2O4/c1-21(2)11-16-18(17(29)12-21)22(23(24,25)26,27-19(30)14-7-4-3-5-8-14)20(31)28(16)13-15-9-6-10-32-15/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3,(H,27,30)
InChIKeyRXQPOKSEGTUPJH-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.26
Rot. Bonds4

About N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide

N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide (PubChem CID 2969677) has the molecular formula C23H27F3N2O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
PubChem CID2969677
Molecular FormulaC23H27F3N2O4
Molecular Weight452.47 g/mol
Exact Mass452.19
IUPAC NameN-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(NC(=O)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C23H27F3N2O4/c1-21(2)11-16-18(17(29)12-21)22(23(24,25)26,27-19(30)14-7-4-3-5-8-14)20(31)28(16)13-15-9-6-10-32-15/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3,(H,27,30)
InChIKeyRXQPOKSEGTUPJH-UHFFFAOYSA-N
XLogP4.26
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide (CID 2969677) is N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide is CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(NC(=O)C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?
The InChIKey is RXQPOKSEGTUPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O4/c1-21(2)11-16-18(17(29)12-21)22(23(24,25)26,27-19(30)14-7-4-3-5-8-14)20(31)28(16)13-15-9-6-10-32-15/h6,9-10,14H,3-5,7-8,11-13H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide?
N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide has a molecular weight of 452.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2969677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).