1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide

C82H71F12N9O7 — CID 160592513

IUPAC1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide
SMILESCC(C)c1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1.CN(C)C(=O)c1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.NC(=O)c1ccc2c(ccn2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1.NC(=O)c1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1
InChIInChI=1S/C23H19N3O2.C21H18F6N2O2.C19H14F6N2O2.C19H20N2O/c24-22(27)19-10-11-21-18(14-19)12-13-26(21)15-16-6-8-17(9-7-16)23(28)25-20-4-2-1-3-5-20;1-28(2)18(30)15-5-8-17-14(11-15)9-10-29(17)12-13-3-6-16(7-4-13)19(31,20(22,23)24)21(25,26)27;20-18(21,22)17(29,19(23,24)25)14-4-1-11(2-5-14)10-27-8-7-12-9-13(16(26)28)3-6-15(12)27;1-13(2)15-5-3-14(4-6-15)12-21-10-9-16-11-17(19(20)22)7-8-18(16)21/h1-14H,15H2,(H2,24,27)(H,25,28);3-11,31H,12H2,1-2H3;1-9,29H,10H2,(H2,26,28);3-11,13H,12H2,1-2H3,(H2,20,22)
InChIKeyRDFGJGMFDBQUPG-UHFFFAOYSA-N
MW1522.50 g/mol
LogP16.76
Rot. Bonds17

About 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide

1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide (PubChem CID 160592513) has the molecular formula C82H71F12N9O7 and a molecular weight of 1522.50 g/mol. Its IUPAC name is 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide
PubChem CID160592513
Molecular FormulaC82H71F12N9O7
Molecular Weight1522.50 g/mol
Exact Mass1521.53
IUPAC Name1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide
SMILESCC(C)c1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1.CN(C)C(=O)c1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.NC(=O)c1ccc2c(ccn2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1.NC(=O)c1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1
InChIInChI=1S/C23H19N3O2.C21H18F6N2O2.C19H14F6N2O2.C19H20N2O/c24-22(27)19-10-11-21-18(14-19)12-13-26(21)15-16-6-8-17(9-7-16)23(28)25-20-4-2-1-3-5-20;1-28(2)18(30)15-5-8-17-14(11-15)9-10-29(17)12-13-3-6-16(7-4-13)19(31,20(22,23)24)21(25,26)27;20-18(21,22)17(29,19(23,24)25)14-4-1-11(2-5-14)10-27-8-7-12-9-13(16(26)28)3-6-15(12)27;1-13(2)15-5-3-14(4-6-15)12-21-10-9-16-11-17(19(20)22)7-8-18(16)21/h1-14H,15H2,(H2,24,27)(H,25,28);3-11,31H,12H2,1-2H3;1-9,29H,10H2,(H2,26,28);3-11,13H,12H2,1-2H3,(H2,20,22)
InChIKeyRDFGJGMFDBQUPG-UHFFFAOYSA-N
XLogP16.76
TPSA238.86 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001522.50
LogP ≤ 516.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide with MolForge

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Related Compounds

3-[[6-[1-[(3-Acetamidophenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 145998992
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CID 146000259
3'-((5-((1-phenylpropyl)carbamoyl)-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-4-carboxylic acid
CID 51049629
4-[2-[[5-(1-Phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 51049640
4-[2-[[5-[[(1S)-1-phenylpropyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 52940476
4-[2-[[5-[[(1R)-1-phenylpropyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 52940481
2-[4-[[2,3-dimethyl-5-[[(1S)-1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 53389231
2-[4-[[5-[[(1R)-1-(3,5-difluoro-4-pyridinyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 53389236
2-[4-[[5-[[(1S)-1-(3,5-difluoro-4-pyridinyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 53389253
bis((3R)-1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-(trifluoromethyl)indol-2-one);bis((3S)-1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-(trifluoromethyl)indol-2-one)
CID 139051028
(2S)-N-[(2S,3S)-1-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-[[4-[2-[3,3-bis(trifluoromethyl)-1lambda3,2-benziodoxol-1-yl]ethynyl]benzoyl]amino]propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 177855491
3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylindol-1-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide
CID 11556112

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide (CID 160592513) is 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide is CC(C)c1ccc(Cn2ccc3cc(C(N)=O)ccc32)cc1.CN(C)C(=O)c1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.NC(=O)c1ccc2c(ccn2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1.NC(=O)c1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide?
The InChIKey is RDFGJGMFDBQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2.C21H18F6N2O2.C19H14F6N2O2.C19H20N2O/c24-22(27)19-10-11-21-18(14-19)12-13-26(21)15-16-6-8-17(9-7-16)23(28)25-20-4-2-1-3-5-20;1-28(2)18(30)15-5-8-17-14(11-15)9-10-29(17)12-13-3-6-16(7-4-13)19(31,20(22,23)24)21(25,26)27;20-18(21,22)17(29,19(23,24)25)14-4-1-11(2-5-14)10-27-8-7-12-9-13(16(26)28)3-6-15(12)27;1-13(2)15-5-3-14(4-6-15)12-21-10-9-16-11-17(19(20)22)7-8-18(16)21/h1-14H,15H2,(H2,24,27)(H,25,28);3-11,31H,12H2,1-2H3;1-9,29H,10H2,(H2,26,28);3-11,13H,12H2,1-2H3,(H2,20,22).
What are the key properties of 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide?
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide has a molecular weight of 1522.50 g/mol, XLogP of 16.76, 17 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-N,N-dimethylindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 160592513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).