N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide

C26H29F4N3O4 — CID 143024655

IUPACN-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide
SMILESCCC(C)(CC(O)(Cc1cc2cc(C(=O)NCC(N)=O)ccc2[nH]1)C(F)(F)F)c1cc(F)ccc1OC
InChIInChI=1S/C26H29F4N3O4/c1-4-24(2,19-11-17(27)6-8-21(19)37-3)14-25(36,26(28,29)30)12-18-10-16-9-15(5-7-20(16)33-18)23(35)32-13-22(31)34/h5-11,33,36H,4,12-14H2,1-3H3,(H2,31,34)(H,32,35)
InChIKeyPSKGLRSSHKOXNS-UHFFFAOYSA-N
MW523.53 g/mol
LogP4.12
Rot. Bonds10

About N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide

N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide (PubChem CID 143024655) has the molecular formula C26H29F4N3O4 and a molecular weight of 523.53 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide
PubChem CID143024655
Molecular FormulaC26H29F4N3O4
Molecular Weight523.53 g/mol
Exact Mass523.21
IUPAC NameN-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide
SMILESCCC(C)(CC(O)(Cc1cc2cc(C(=O)NCC(N)=O)ccc2[nH]1)C(F)(F)F)c1cc(F)ccc1OC
InChIInChI=1S/C26H29F4N3O4/c1-4-24(2,19-11-17(27)6-8-21(19)37-3)14-25(36,26(28,29)30)12-18-10-16-9-15(5-7-20(16)33-18)23(35)32-13-22(31)34/h5-11,33,36H,4,12-14H2,1-3H3,(H2,31,34)(H,32,35)
InChIKeyPSKGLRSSHKOXNS-UHFFFAOYSA-N
XLogP4.12
TPSA117.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.53
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indol-5-yl] methyl carbonate
CID 69372020
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
CID 89311699
2-[2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indol-5-yl]morpholine-4-carbaldehyde
CID 22398484
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]-4-methylhexan-2-ol
CID 142813262
2-[(5,7-dimethyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 11774981
3-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]benzamide
CID 58959937
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol
CID 11384346
2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-7-carbonitrile
CID 22398506
2-[4-(5-fluoro-2-methylphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 118723171
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[6-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
CID 89311700
N-(2-amino-2-oxoethyl)-3-[4-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]benzamide
CID 25115731
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide (CID 143024655) is N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide is CCC(C)(CC(O)(Cc1cc2cc(C(=O)NCC(N)=O)ccc2[nH]1)C(F)(F)F)c1cc(F)ccc1OC.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide?
The InChIKey is PSKGLRSSHKOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F4N3O4/c1-4-24(2,19-11-17(27)6-8-21(19)37-3)14-25(36,26(28,29)30)12-18-10-16-9-15(5-7-20(16)33-18)23(35)32-13-22(31)34/h5-11,33,36H,4,12-14H2,1-3H3,(H2,31,34)(H,32,35).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide?
N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide has a molecular weight of 523.53 g/mol, XLogP of 4.12, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)hexyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 143024655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).