1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine

C79H74F2N8O4 — CID 157480004

IUPAC1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine
SMILESCOc1ccc(-n2ccc3cc(N)ccc32)cc1.Cc1cc(C)cc(-n2ccc3ccc(N)cc32)c1.Cc1cc(C)cc(N2C(=O)C(=O)c3ccccc32)c1.Cc1cc(C)cc(N2C(=O)C(F)(F)c3ccccc32)c1.Cc1cc(C)cc(N2CCc3ccc(N)cc32)c1
InChIInChI=1S/C16H13F2NO.C16H18N2.C16H16N2.C16H13NO2.C15H14N2O/c1-10-7-11(2)9-12(8-10)19-14-6-4-3-5-13(14)16(17,18)15(19)20;2*1-11-7-12(2)9-15(8-11)18-6-5-13-3-4-14(17)10-16(13)18;1-10-7-11(2)9-12(8-10)17-14-6-4-3-5-13(14)15(18)16(17)19;1-18-14-5-3-13(4-6-14)17-9-8-11-10-12(16)2-7-15(11)17/h3-9H,1-2H3;3-4,7-10H,5-6,17H2,1-2H3;3-10H,17H2,1-2H3;3-9H,1-2H3;2-10H,16H2,1H3
InChIKeyBWAZHQVOLRIJAA-UHFFFAOYSA-N
MW1237.51 g/mol
LogP17.87
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine

1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine (PubChem CID 157480004) has the molecular formula C79H74F2N8O4 and a molecular weight of 1237.51 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine
PubChem CID157480004
Molecular FormulaC79H74F2N8O4
Molecular Weight1237.51 g/mol
Exact Mass1236.58
IUPAC Name1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine
SMILESCOc1ccc(-n2ccc3cc(N)ccc32)cc1.Cc1cc(C)cc(-n2ccc3ccc(N)cc32)c1.Cc1cc(C)cc(N2C(=O)C(=O)c3ccccc32)c1.Cc1cc(C)cc(N2C(=O)C(F)(F)c3ccccc32)c1.Cc1cc(C)cc(N2CCc3ccc(N)cc32)c1
InChIInChI=1S/C16H13F2NO.C16H18N2.C16H16N2.C16H13NO2.C15H14N2O/c1-10-7-11(2)9-12(8-10)19-14-6-4-3-5-13(14)16(17,18)15(19)20;2*1-11-7-12(2)9-15(8-11)18-6-5-13-3-4-14(17)10-16(13)18;1-10-7-11(2)9-12(8-10)17-14-6-4-3-5-13(14)15(18)16(17)19;1-18-14-5-3-13(4-6-14)17-9-8-11-10-12(16)2-7-15(11)17/h3-9H,1-2H3;3-4,7-10H,5-6,17H2,1-2H3;3-10H,17H2,1-2H3;3-9H,1-2H3;2-10H,16H2,1H3
InChIKeyBWAZHQVOLRIJAA-UHFFFAOYSA-N
XLogP17.87
TPSA158.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.51
LogP ≤ 517.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine with MolForge

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Related Compounds

1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 160796443
2-amino-N-[2-[[(3R)-1-[(6-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
CID 161144984
2-(1-Ethyl-5-methoxy-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 139080611
N-(1,3-benzoxazol-5-yl)-3-(4-tert-butylphenyl)propanamide;N-(1,3-benzoxazol-6-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-methylindol-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(1-methylindol-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)propanamide
CID 157749656
1,3-Dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;1,2,3-trimethylindole;1,3,5-trimethylindole
CID 157800356
1-[3-(2-Aminoethyl)-1-(3-phenylpropyl)indol-5-yl]ethanone;1-[3-(3-aminopropyl)-1-(3-phenylpropyl)indol-5-yl]ethanone;1-[3-(5-methoxy-3-propylindol-1-yl)propyl]-5-methyl-3-propylindole;bis(5-methyl-1-(3-phenylpropyl)-3-propylindole);3-propyl-1-[3-(3-propylindol-1-yl)propyl]indole
CID 157884752
8-fluoro-2-(2-fluorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-(2-fluorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158343203
9-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-3-phenylcarbazole;3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-pyridin-2-ylcarbazole;ethane
CID 158702067
N-(1,3-benzodioxol-5-yl)-3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]indol-5-yl]methyl]-N-(4-methoxyphenyl)benzamide
CID 159050343
3-Carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-2-yl)-3-(3-dibenzofuran-2-ylphenyl)carbazole;3-(3-carbazol-9-ylphenyl)-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole;3-dibenzofuran-2-yl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole;5-phenyl-2-[9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]pyrido[4,3-b]indol-2-ium
CID 159280259
3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-fluorophenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-(3-methoxyphenyl)benzamide;3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]methyl]-N-phenylbenzamide;3-[1-[3-(dimethylamino)propyl]indol-5-yl]oxy-N-(4-fluorophenyl)benzamide
CID 159418291
1,3-Dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole
CID 159471284

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine (CID 157480004) is 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine is COc1ccc(-n2ccc3cc(N)ccc32)cc1.Cc1cc(C)cc(-n2ccc3ccc(N)cc32)c1.Cc1cc(C)cc(N2C(=O)C(=O)c3ccccc32)c1.Cc1cc(C)cc(N2C(=O)C(F)(F)c3ccccc32)c1.Cc1cc(C)cc(N2CCc3ccc(N)cc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine?
The InChIKey is BWAZHQVOLRIJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO.C16H18N2.C16H16N2.C16H13NO2.C15H14N2O/c1-10-7-11(2)9-12(8-10)19-14-6-4-3-5-13(14)16(17,18)15(19)20;2*1-11-7-12(2)9-15(8-11)18-6-5-13-3-4-14(17)10-16(13)18;1-10-7-11(2)9-12(8-10)17-14-6-4-3-5-13(14)15(18)16(17)19;1-18-14-5-3-13(4-6-14)17-9-8-11-10-12(16)2-7-15(11)17/h3-9H,1-2H3;3-4,7-10H,5-6,17H2,1-2H3;3-10H,17H2,1-2H3;3-9H,1-2H3;2-10H,16H2,1H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine?
1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine has a molecular weight of 1237.51 g/mol, XLogP of 17.87, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine is sourced from PubChem (CID 157480004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).