2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide

C24H27F4N3O3 — CID 87313441

IUPAC2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2cc(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)[nH]c2c1
InChIInChI=1S/C24H27F4N3O3/c1-22(2,17-11-16(25)7-8-19(17)32)12-23(34,24(26,27)28)13-29-20-10-14-5-6-15(9-18(14)30-20)21(33)31(3)4/h5-11,29-30,32,34H,12-13H2,1-4H3
InChIKeyZLOUDLUQFYBUND-UHFFFAOYSA-N
MW481.49 g/mol
LogP4.79
Rot. Bonds7

About 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide

2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide (PubChem CID 87313441) has the molecular formula C24H27F4N3O3 and a molecular weight of 481.49 g/mol. Its IUPAC name is 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide
PubChem CID87313441
Molecular FormulaC24H27F4N3O3
Molecular Weight481.49 g/mol
Exact Mass481.20
IUPAC Name2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2cc(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)[nH]c2c1
InChIInChI=1S/C24H27F4N3O3/c1-22(2,17-11-16(25)7-8-19(17)32)12-23(34,24(26,27)28)13-29-20-10-14-5-6-15(9-18(14)30-20)21(33)31(3)4/h5-11,29-30,32,34H,12-13H2,1-4H3
InChIKeyZLOUDLUQFYBUND-UHFFFAOYSA-N
XLogP4.79
TPSA88.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide?
The IUPAC name of 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide (CID 87313441) is 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide.
What is the SMILES notation for 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide?
The canonical SMILES for 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide is CN(C)C(=O)c1ccc2cc(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide?
The InChIKey is ZLOUDLUQFYBUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3O3/c1-22(2,17-11-16(25)7-8-19(17)32)12-23(34,24(26,27)28)13-29-20-10-14-5-6-15(9-18(14)30-20)21(33)31(3)4/h5-11,29-30,32,34H,12-13H2,1-4H3.
What are the key properties of 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide?
2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-N,N-dimethyl-1H-indole-6-carboxamide is sourced from PubChem (CID 87313441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).