N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide

C17H26F3NO — CID 154607679

IUPACN-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide
SMILESO=C(CC1CC(F)C(F)CC1F)N[C@H]1CCC2CCCCC21
InChIInChI=1S/C17H26F3NO/c18-13-9-15(20)14(19)7-11(13)8-17(22)21-16-6-5-10-3-1-2-4-12(10)16/h10-16H,1-9H2,(H,21,22)/t10?,11?,12?,13?,14?,15?,16-/m0/s1
InChIKeyLZPZORIYLCIGLN-VMOZUDSHSA-N
MW317.39 g/mol
LogP3.89
Rot. Bonds3

About N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide

N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide (PubChem CID 154607679) has the molecular formula C17H26F3NO and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide
PubChem CID154607679
Molecular FormulaC17H26F3NO
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC NameN-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide
SMILESO=C(CC1CC(F)C(F)CC1F)N[C@H]1CCC2CCCCC21
InChIInChI=1S/C17H26F3NO/c18-13-9-15(20)14(19)7-11(13)8-17(22)21-16-6-5-10-3-1-2-4-12(10)16/h10-16H,1-9H2,(H,21,22)/t10?,11?,12?,13?,14?,15?,16-/m0/s1
InChIKeyLZPZORIYLCIGLN-VMOZUDSHSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide 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

N-[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]acetamide
CID 99908294
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-2-butoxyacetamide
CID 70763374
N-cyclopentyl-2-(2-methylcyclopropyl)acetamide
CID 130890904
N-(2-aminocyclopropyl)-2-cyclopentylacetamide
CID 60775753
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-5-oxo-5-phenylpentanamide
CID 70745414
N-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl]acetamide
CID 130909390
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-(3-amino-1H-1,2,4-triazol-5-yl)propanamide
CID 70736942
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 70764072
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
CID 106365961
2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 136581626
2-(2-aminocyclopentyl)-N-(2-methylcyclopropyl)acetamide
CID 164648708
1-[(1S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-hydroxyethanone
CID 130918400

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide?
The IUPAC name of N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide (CID 154607679) is N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide.
What is the SMILES notation for N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide?
The canonical SMILES for N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide is O=C(CC1CC(F)C(F)CC1F)N[C@H]1CCC2CCCCC21.
What is the InChIKey of N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide?
The InChIKey is LZPZORIYLCIGLN-VMOZUDSHSA-N. The full InChI is InChI=1S/C17H26F3NO/c18-13-9-15(20)14(19)7-11(13)8-17(22)21-16-6-5-10-3-1-2-4-12(10)16/h10-16H,1-9H2,(H,21,22)/t10?,11?,12?,13?,14?,15?,16-/m0/s1.
What are the key properties of N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide?
N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-2-(2,4,5-trifluorocyclohexyl)acetamide is sourced from PubChem (CID 154607679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).