N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

C21H21F3N2O3 — CID 164611638

IUPACN-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N2O3/c1-2-6-17(19(28)13-7-3-4-9-15(13)21(22,23)24)26-20(29)12-8-5-10-16-14(12)11-18(27)25-16/h3-5,7-10,17,19,28H,2,6,11H2,1H3,(H,25,27)(H,26,29)/t17-,19+/m1/s1
InChIKeyGUOONIKPHUDHRI-MJGOQNOKSA-N
MW406.40 g/mol
LogP3.83
Rot. Bonds6

About N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (PubChem CID 164611638) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
PubChem CID164611638
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC NameN-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N2O3/c1-2-6-17(19(28)13-7-3-4-9-15(13)21(22,23)24)26-20(29)12-8-5-10-16-14(12)11-18(27)25-16/h3-5,7-10,17,19,28H,2,6,11H2,1H3,(H,25,27)(H,26,29)/t17-,19+/m1/s1
InChIKeyGUOONIKPHUDHRI-MJGOQNOKSA-N
XLogP3.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (CID 164611638) is N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is CCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The InChIKey is GUOONIKPHUDHRI-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c1-2-6-17(19(28)13-7-3-4-9-15(13)21(22,23)24)26-20(29)12-8-5-10-16-14(12)11-18(27)25-16/h3-5,7-10,17,19,28H,2,6,11H2,1H3,(H,25,27)(H,26,29)/t17-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 164611638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).