2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide

C23H23Cl2F3N2O4 — CID 42578725

IUPAC2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
SMILESCC1(C)CC(=O)C2=C(C1)N(C[C@@H]1CCCO1)C(=O)[C@@]2(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C23H23Cl2F3N2O4/c1-21(2)9-16-18(17(31)10-21)22(23(26,27)28,20(33)30(16)11-13-4-3-7-34-13)29-19(32)14-6-5-12(24)8-15(14)25/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,29,32)/t13-,22+/m0/s1
InChIKeyKOLYEJCFQKMHGH-WHEQGISXSA-N
MW519.35 g/mol
LogP4.69
Rot. Bonds4

About 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide

2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide (PubChem CID 42578725) has the molecular formula C23H23Cl2F3N2O4 and a molecular weight of 519.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
PubChem CID42578725
Molecular FormulaC23H23Cl2F3N2O4
Molecular Weight519.35 g/mol
Exact Mass518.10
IUPAC Name2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
SMILESCC1(C)CC(=O)C2=C(C1)N(C[C@@H]1CCCO1)C(=O)[C@@]2(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C23H23Cl2F3N2O4/c1-21(2)9-16-18(17(31)10-21)22(23(26,27)28,20(33)30(16)11-13-4-3-7-34-13)29-19(32)14-6-5-12(24)8-15(14)25/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,29,32)/t13-,22+/m0/s1
InChIKeyKOLYEJCFQKMHGH-WHEQGISXSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.35
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide with MolForge

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Related Compounds

N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-4-fluorobenzamide
CID 92651782
N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 92651743
N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]cyclohexanecarboxamide
CID 40818028
3-chloro-N-[6,6-dimethyl-1-(4-methylphenyl)-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide
CID 5204175
2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344615
N-[(3S)-1-(3-chloro-4-fluorophenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
CID 42578759
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-cyclohexylpropanamide
CID 2023554
N-[(3R)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-methoxybenzamide
CID 92651801
N-[1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 46500704
N-[(3R)-1-[(4-fluorophenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3,4-dimethoxybenzamide
CID 98153396
N-[(3S)-1-benzyl-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-phenylpropanamide
CID 2222331
N-[(3S)-6,6-dimethyl-2,4-dioxo-1-(2-phenylethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
CID 42578734

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide (CID 42578725) is 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide is CC1(C)CC(=O)C2=C(C1)N(C[C@@H]1CCCO1)C(=O)[C@@]2(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide?
The InChIKey is KOLYEJCFQKMHGH-WHEQGISXSA-N. The full InChI is InChI=1S/C23H23Cl2F3N2O4/c1-21(2)9-16-18(17(31)10-21)22(23(26,27)28,20(33)30(16)11-13-4-3-7-34-13)29-19(32)14-6-5-12(24)8-15(14)25/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,29,32)/t13-,22+/m0/s1.
What are the key properties of 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide?
2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide has a molecular weight of 519.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3R)-6,6-dimethyl-2,4-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide is sourced from PubChem (CID 42578725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).