N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide

C24H29F3N2O3 — CID 2962338

IUPACN-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(N2C(=O)C(NC(=O)C(C)(C)C)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C
InChIInChI=1S/C24H29F3N2O3/c1-13-8-9-15(10-14(13)2)29-16-11-22(6,7)12-17(30)18(16)23(20(29)32,24(25,26)27)28-19(31)21(3,4)5/h8-10H,11-12H2,1-7H3,(H,28,31)
InChIKeyNKGSFAVEFOXTRN-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.76
Rot. Bonds2

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

N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide (PubChem CID 2962338) has the molecular formula C24H29F3N2O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide
PubChem CID2962338
Molecular FormulaC24H29F3N2O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC NameN-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(N2C(=O)C(NC(=O)C(C)(C)C)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C
InChIInChI=1S/C24H29F3N2O3/c1-13-8-9-15(10-14(13)2)29-16-11-22(6,7)12-17(30)18(16)23(20(29)32,24(25,26)27)28-19(31)21(3,4)5/h8-10H,11-12H2,1-7H3,(H,28,31)
InChIKeyNKGSFAVEFOXTRN-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide (CID 2962338) is N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide is Cc1ccc(N2C(=O)C(NC(=O)C(C)(C)C)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is NKGSFAVEFOXTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O3/c1-13-8-9-15(10-14(13)2)29-16-11-22(6,7)12-17(30)18(16)23(20(29)32,24(25,26)27)28-19(31)21(3,4)5/h8-10H,11-12H2,1-7H3,(H,28,31).
What are the key properties of N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide?
N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 450.50 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2962338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).