1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one

C153H190Cl3F3N10O10 — CID 162238084

IUPAC1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one
SMILESCC(C(=O)C(C)(C)C)n1ccc2ccc(C(C)(F)F)cc21.CC(C(=O)C(C)(C)C)n1ccc2ccc(Cl)cc21.CC(C)(C)C(=O)Cn1ccc2ccc(Cl)cc21.CC(C)(C)C(=O)Cn1ccc2cccc(Cl)c21.Cc1cc(F)cc2[nH]c(C(=O)C(C)(C)C)cc12.Cc1ccc2c(ccn2CC(=O)C(C)(C)C)c1.Cc1ccc2c(ccn2CC(=O)C(C)(C)C)c1.Cc1cccc2[nH]c(C(=O)C(C)(C)C)cc12.Cc1cccc2c1ccn2C(C)C(=O)C(C)(C)C.Cc1cccc2c1ccn2C(CC(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C19H27NO.C17H21F2NO.C16H21NO.C15H18ClNO.2C15H19NO.2C14H16ClNO.C14H16FNO.C14H17NO/c1-13(2)12-17(18(21)19(4,5)6)20-11-10-15-14(3)8-7-9-16(15)20;1-11(15(21)16(2,3)4)20-9-8-12-6-7-13(10-14(12)20)17(5,18)19;1-11-7-6-8-14-13(11)9-10-17(14)12(2)15(18)16(3,4)5;1-10(14(18)15(2,3)4)17-8-7-11-5-6-12(16)9-13(11)17;2*1-11-5-6-13-12(9-11)7-8-16(13)10-14(17)15(2,3)4;1-14(2,3)13(17)9-16-7-6-10-4-5-11(15)8-12(10)16;1-14(2,3)12(17)9-16-8-7-10-5-4-6-11(15)13(10)16;1-8-5-9(15)6-11-10(8)7-12(16-11)13(17)14(2,3)4;1-9-6-5-7-11-10(9)8-12(15-11)13(16)14(2,3)4/h7-11,13,17H,12H2,1-6H3;6-11H,1-5H3;6-10,12H,1-5H3;5-10H,1-4H3;2*5-9H,10H2,1-4H3;2*4-8H,9H2,1-3H3;5-7,16H,1-4H3;5-8,15H,1-4H3
InChIKeyZWIHTWLBIGODIE-UHFFFAOYSA-N
MW2492.62 g/mol
LogP41.18
Rot. Bonds21

About 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one

1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one (PubChem CID 162238084) has the molecular formula C153H190Cl3F3N10O10 and a molecular weight of 2492.62 g/mol. Its IUPAC name is 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one.

Molecular Properties

Compound Name1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one
PubChem CID162238084
Molecular FormulaC153H190Cl3F3N10O10
Molecular Weight2492.62 g/mol
Exact Mass2489.37
IUPAC Name1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one
SMILESCC(C(=O)C(C)(C)C)n1ccc2ccc(C(C)(F)F)cc21.CC(C(=O)C(C)(C)C)n1ccc2ccc(Cl)cc21.CC(C)(C)C(=O)Cn1ccc2ccc(Cl)cc21.CC(C)(C)C(=O)Cn1ccc2cccc(Cl)c21.Cc1cc(F)cc2[nH]c(C(=O)C(C)(C)C)cc12.Cc1ccc2c(ccn2CC(=O)C(C)(C)C)c1.Cc1ccc2c(ccn2CC(=O)C(C)(C)C)c1.Cc1cccc2[nH]c(C(=O)C(C)(C)C)cc12.Cc1cccc2c1ccn2C(C)C(=O)C(C)(C)C.Cc1cccc2c1ccn2C(CC(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C19H27NO.C17H21F2NO.C16H21NO.C15H18ClNO.2C15H19NO.2C14H16ClNO.C14H16FNO.C14H17NO/c1-13(2)12-17(18(21)19(4,5)6)20-11-10-15-14(3)8-7-9-16(15)20;1-11(15(21)16(2,3)4)20-9-8-12-6-7-13(10-14(12)20)17(5,18)19;1-11-7-6-8-14-13(11)9-10-17(14)12(2)15(18)16(3,4)5;1-10(14(18)15(2,3)4)17-8-7-11-5-6-12(16)9-13(11)17;2*1-11-5-6-13-12(9-11)7-8-16(13)10-14(17)15(2,3)4;1-14(2,3)13(17)9-16-7-6-10-4-5-11(15)8-12(10)16;1-14(2,3)12(17)9-16-8-7-10-5-4-6-11(15)13(10)16;1-8-5-9(15)6-11-10(8)7-12(16-11)13(17)14(2,3)4;1-9-6-5-7-11-10(9)8-12(15-11)13(16)14(2,3)4/h7-11,13,17H,12H2,1-6H3;6-11H,1-5H3;6-10,12H,1-5H3;5-10H,1-4H3;2*5-9H,10H2,1-4H3;2*4-8H,9H2,1-3H3;5-7,16H,1-4H3;5-8,15H,1-4H3
InChIKeyZWIHTWLBIGODIE-UHFFFAOYSA-N
XLogP41.18
TPSA241.72 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.62
LogP ≤ 541.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one?
The IUPAC name of 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one (CID 162238084) is 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one.
What is the SMILES notation for 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one?
The canonical SMILES for 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one is CC(C(=O)C(C)(C)C)n1ccc2ccc(C(C)(F)F)cc21.CC(C(=O)C(C)(C)C)n1ccc2ccc(Cl)cc21.CC(C)(C)C(=O)Cn1ccc2ccc(Cl)cc21.CC(C)(C)C(=O)Cn1ccc2cccc(Cl)c21.Cc1cc(F)cc2[nH]c(C(=O)C(C)(C)C)cc12.Cc1ccc2c(ccn2CC(=O)C(C)(C)C)c1.Cc1ccc2c(ccn2CC(=O)C(C)(C)C)c1.Cc1cccc2[nH]c(C(=O)C(C)(C)C)cc12.Cc1cccc2c1ccn2C(C)C(=O)C(C)(C)C.Cc1cccc2c1ccn2C(CC(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one?
The InChIKey is ZWIHTWLBIGODIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO.C17H21F2NO.C16H21NO.C15H18ClNO.2C15H19NO.2C14H16ClNO.C14H16FNO.C14H17NO/c1-13(2)12-17(18(21)19(4,5)6)20-11-10-15-14(3)8-7-9-16(15)20;1-11(15(21)16(2,3)4)20-9-8-12-6-7-13(10-14(12)20)17(5,18)19;1-11-7-6-8-14-13(11)9-10-17(14)12(2)15(18)16(3,4)5;1-10(14(18)15(2,3)4)17-8-7-11-5-6-12(16)9-13(11)17;2*1-11-5-6-13-12(9-11)7-8-16(13)10-14(17)15(2,3)4;1-14(2,3)13(17)9-16-7-6-10-4-5-11(15)8-12(10)16;1-14(2,3)12(17)9-16-8-7-10-5-4-6-11(15)13(10)16;1-8-5-9(15)6-11-10(8)7-12(16-11)13(17)14(2,3)4;1-9-6-5-7-11-10(9)8-12(15-11)13(16)14(2,3)4/h7-11,13,17H,12H2,1-6H3;6-11H,1-5H3;6-10,12H,1-5H3;5-10H,1-4H3;2*5-9H,10H2,1-4H3;2*4-8H,9H2,1-3H3;5-7,16H,1-4H3;5-8,15H,1-4H3.
What are the key properties of 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one?
1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one has a molecular weight of 2492.62 g/mol, XLogP of 41.18, 21 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroindol-1-yl)-3,3-dimethylbutan-2-one;1-(7-chloroindol-1-yl)-3,3-dimethylbutan-2-one;4-(6-chloroindol-1-yl)-2,2-dimethylpentan-3-one;4-[6-(1,1-difluoroethyl)indol-1-yl]-2,2-dimethylpentan-3-one;bis(3,3-dimethyl-1-(5-methylindol-1-yl)butan-2-one);2,2-dimethyl-4-(4-methylindol-1-yl)pentan-3-one;2,2-dimethyl-1-(4-methyl-1H-indol-2-yl)propan-1-one;1-(6-fluoro-4-methyl-1H-indol-2-yl)-2,2-dimethylpropan-1-one;2,2,6-trimethyl-4-(4-methylindol-1-yl)heptan-3-one is sourced from PubChem (CID 162238084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).