4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide

C22H26ClF3N2O3 — CID 121393420

IUPAC4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide
SMILESO=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cn(CC2CCCO2)c2cccc(Cl)c12
InChIInChI=1S/C22H26ClF3N2O3/c23-17-6-1-7-18-19(17)16(12-28(18)11-15-5-3-9-31-15)20(29)27-13-21(30)8-2-4-14(10-21)22(24,25)26/h1,6-7,12,14-15,30H,2-5,8-11,13H2,(H,27,29)
InChIKeyGRSYITPZSFJUED-UHFFFAOYSA-N
MW458.91 g/mol
LogP4.69
Rot. Bonds5

About 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide

4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide (PubChem CID 121393420) has the molecular formula C22H26ClF3N2O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide
PubChem CID121393420
Molecular FormulaC22H26ClF3N2O3
Molecular Weight458.91 g/mol
Exact Mass458.16
IUPAC Name4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide
SMILESO=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cn(CC2CCCO2)c2cccc(Cl)c12
InChIInChI=1S/C22H26ClF3N2O3/c23-17-6-1-7-18-19(17)16(12-28(18)11-15-5-3-9-31-15)20(29)27-13-21(30)8-2-4-14(10-21)22(24,25)26/h1,6-7,12,14-15,30H,2-5,8-11,13H2,(H,27,29)
InChIKeyGRSYITPZSFJUED-UHFFFAOYSA-N
XLogP4.69
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[[(1R)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide
CID 121393434
4-chloro-N-[[(1S)-3,3-difluoro-1-hydroxycyclohexyl]methyl]-1-[[(2S)-oxolan-2-yl]methyl]indole-3-carboxamide
CID 121393457
1-[4-chloro-1-(oxolan-2-ylmethyl)indol-3-yl]-2,2,2-trifluoroethanone;ethane
CID 145106764
4-chloro-1-(oxolan-2-ylmethyl)indole-3-carboxylic acid
CID 121393283
4-chloro-N-[[(1S,3S)-3-ethenyl-1-hydroxycyclohexyl]methyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 138752531
4-chloro-N-[(3,3-difluoro-1-hydroxycyclohexyl)methyl]-1-(pyrrolidin-2-ylmethyl)indole-3-carboxamide
CID 121393388
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121407315
8-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-3-(oxolan-3-yl)indolizine-1-carboxamide
CID 118693097
4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxetan-3-yl)indole-3-carboxamide
CID 121393263
4-chloro-N-[(3,3-difluoro-1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)indole-3-carboxamide
CID 121393286
1-[4-chloro-1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]-3-(4,4-difluorocyclohexyl)propan-1-one
CID 147183713
N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 136534123

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide (CID 121393420) is 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide is O=C(NCC1(O)CCCC(C(F)(F)F)C1)c1cn(CC2CCCO2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide?
The InChIKey is GRSYITPZSFJUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF3N2O3/c23-17-6-1-7-18-19(17)16(12-28(18)11-15-5-3-9-31-15)20(29)27-13-21(30)8-2-4-14(10-21)22(24,25)26/h1,6-7,12,14-15,30H,2-5,8-11,13H2,(H,27,29).
What are the key properties of 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide?
4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide has a molecular weight of 458.91 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methyl]-1-(oxolan-2-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 121393420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).