5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

C91H71F11N8O6 — CID 157408098

IUPAC5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccc(F)c3F)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccncc3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C31H23F5N2O2.2C30H24F3N3O2/c1-17-10-13-19(14-11-17)37-28(39)21-16-18(12-15-22(21)31(34,35)36)20-6-4-8-24-26(20)30(2,3)29(40)38(24)25-9-5-7-23(32)27(25)33;1-18-9-12-20(13-10-18)35-27(37)23-16-19(11-14-24(23)30(31,32)33)22-7-4-8-25-26(22)29(2,3)28(38)36(25)21-6-5-15-34-17-21;1-18-7-10-20(11-8-18)35-27(37)23-17-19(9-12-24(23)30(31,32)33)22-5-4-6-25-26(22)29(2,3)28(38)36(25)21-13-15-34-16-14-21/h4-16H,1-3H3,(H,37,39);2*4-17H,1-3H3,(H,35,37)
InChIKeyBNYNRBBPJJLADA-UHFFFAOYSA-N
MW1581.60 g/mol
LogP22.74
Rot. Bonds12

About 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 157408098) has the molecular formula C91H71F11N8O6 and a molecular weight of 1581.60 g/mol. Its IUPAC name is 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID157408098
Molecular FormulaC91H71F11N8O6
Molecular Weight1581.60 g/mol
Exact Mass1580.53
IUPAC Name5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccc(F)c3F)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccncc3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C31H23F5N2O2.2C30H24F3N3O2/c1-17-10-13-19(14-11-17)37-28(39)21-16-18(12-15-22(21)31(34,35)36)20-6-4-8-24-26(20)30(2,3)29(40)38(24)25-9-5-7-23(32)27(25)33;1-18-9-12-20(13-10-18)35-27(37)23-16-19(11-14-24(23)30(31,32)33)22-7-4-8-25-26(22)29(2,3)28(38)36(25)21-6-5-15-34-17-21;1-18-7-10-20(11-8-18)35-27(37)23-17-19(9-12-24(23)30(31,32)33)22-5-4-6-25-26(22)29(2,3)28(38)36(25)21-13-15-34-16-14-21/h4-16H,1-3H3,(H,37,39);2*4-17H,1-3H3,(H,35,37)
InChIKeyBNYNRBBPJJLADA-UHFFFAOYSA-N
XLogP22.74
TPSA174.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001581.60
LogP ≤ 522.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(3-pyridin-3-ylbenzoyl)amino]benzamide
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4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(3-pyridin-3-ylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 137635383
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(3-pyridin-4-ylbenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 137636239
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(E)-2-(4-pyrrolidin-1-ylquinolin-3-yl)ethenyl]benzamide
CID 168277260
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(Z)-2-(4-pyrrolidin-1-ylquinolin-3-yl)ethenyl]benzamide
CID 168297642
4-[(4-ethylpiperazin-1-yl)methyl]-N-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 11512824
4-(4-Ethyl-piperazin-1-ylmethyl)-N-{3-[2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-ylamino]-phenyl}-3-trifluoromethyl-benzamide
CID 66675641
3-[6-(2-aminophenyl)-3-pyridinyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 89167954
2-Methyl-5-[2-[4-[2-methyl-4-[5-[2-[4-(4-methyl-2-pyridin-3-ylphenyl)-3-pyridin-3-ylphenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 117826198
N-[[8-fluoro-2-(7-methyl-1H-indol-3-yl)quinolin-6-yl]methyl]-2-[6-[3-(8-fluoroquinolin-2-yl)-1H-indol-6-yl]-1H-indol-3-yl]quinoline-5-carboxamide
CID 123613558
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[4-[3-[[[6-[4-(4-fluorophenyl)piperidin-1-yl]-3-methyl-1-propan-2-ylindole-4-carbonyl]amino]methyl]-6-methyl-2-oxo-1H-pyridin-4-yl]butan-2-yl]-3-methyl-6-(pyridin-3-ylamino)indole-4-carboxamide
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3-[2-[(1S)-2-[4-[5-(3-carbamoylphenyl)-6-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-3,5-difluorophenyl]-1-[[2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 129129687

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 157408098) is 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccc(F)c3F)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccncc3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is BNYNRBBPJJLADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F5N2O2.2C30H24F3N3O2/c1-17-10-13-19(14-11-17)37-28(39)21-16-18(12-15-22(21)31(34,35)36)20-6-4-8-24-26(20)30(2,3)29(40)38(24)25-9-5-7-23(32)27(25)33;1-18-9-12-20(13-10-18)35-27(37)23-16-19(11-14-24(23)30(31,32)33)22-7-4-8-25-26(22)29(2,3)28(38)36(25)21-6-5-15-34-17-21;1-18-7-10-20(11-8-18)35-27(37)23-17-19(9-12-24(23)30(31,32)33)22-5-4-6-25-26(22)29(2,3)28(38)36(25)21-13-15-34-16-14-21/h4-16H,1-3H3,(H,37,39);2*4-17H,1-3H3,(H,35,37).
What are the key properties of 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1581.60 g/mol, XLogP of 22.74, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-difluorophenyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 157408098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).