N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

C25H26F4N2O2 — CID 146592747

IUPACN-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCC3CCC(F)(F)CC3)ccc21
InChIInChI=1S/C25H26F4N2O2/c1-24(2)20-4-3-17(22(32)30-13-15-5-7-25(28,29)8-6-15)11-21(20)31(23(24)33)14-16-9-18(26)12-19(27)10-16/h3-4,9-12,15H,5-8,13-14H2,1-2H3,(H,30,32)
InChIKeyRIUFAIXZHROPLJ-UHFFFAOYSA-N
MW462.49 g/mol
LogP5.34
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (PubChem CID 146592747) has the molecular formula C25H26F4N2O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
PubChem CID146592747
Molecular FormulaC25H26F4N2O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCC3CCC(F)(F)CC3)ccc21
InChIInChI=1S/C25H26F4N2O2/c1-24(2)20-4-3-17(22(32)30-13-15-5-7-25(28,29)8-6-15)11-21(20)31(23(24)33)14-16-9-18(26)12-19(27)10-16/h3-4,9-12,15H,5-8,13-14H2,1-2H3,(H,30,32)
InChIKeyRIUFAIXZHROPLJ-UHFFFAOYSA-N
XLogP5.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-3-fluoro-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592779
1-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-oxoindole-6-carboxamide
CID 142502558
1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide
CID 142502484
N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide
CID 146592733
1-[(4-azidophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592702
methyl 2-[[3,3-dimethyl-2-oxo-6-[(2,4,6-trifluorophenyl)methylcarbamoyl]indol-1-yl]methyl]-3-fluorobenzoate
CID 170074156
3,3-dimethyl-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592799
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502572
1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 170071729
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502804
1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
CID 146592755
N-[(5-fluoro-1-benzofuran-2-yl)methyl]-1-[[4-fluoro-1-(2-methoxyethyl)-3-methylpyrazol-5-yl]methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592766

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide (CID 146592747) is N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is CC1(C)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCC3CCC(F)(F)CC3)ccc21.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
The InChIKey is RIUFAIXZHROPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N2O2/c1-24(2)20-4-3-17(22(32)30-13-15-5-7-25(28,29)8-6-15)11-21(20)31(23(24)33)14-16-9-18(26)12-19(27)10-16/h3-4,9-12,15H,5-8,13-14H2,1-2H3,(H,30,32).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide is sourced from PubChem (CID 146592747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).