(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide

C23H28F7NO2 — CID 134491193

IUPAC(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
SMILESCC(CNC(=O)[C@@H]1CC[C@H]2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(C)(C)O
InChIInChI=1S/C23H28F7NO2/c1-12(20(2,3)33)11-31-19(32)18-9-8-16-15-7-5-14(10-13(15)4-6-17(16)18)21(24,22(25,26)27)23(28,29)30/h5,7,10,12,16-18,33H,4,6,8-9,11H2,1-3H3,(H,31,32)/t12?,16-,17+,18+/m0/s1
InChIKeyVBLIEQDNSNLYHD-RNEQGDNISA-N
MW483.47 g/mol
LogP5.56
Rot. Bonds5

About (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide

(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide (PubChem CID 134491193) has the molecular formula C23H28F7NO2 and a molecular weight of 483.47 g/mol. Its IUPAC name is (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide.

Molecular Properties

Compound Name(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
PubChem CID134491193
Molecular FormulaC23H28F7NO2
Molecular Weight483.47 g/mol
Exact Mass483.20
IUPAC Name(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
SMILESCC(CNC(=O)[C@@H]1CC[C@H]2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(C)(C)O
InChIInChI=1S/C23H28F7NO2/c1-12(20(2,3)33)11-31-19(32)18-9-8-16-15-7-5-14(10-13(15)4-6-17(16)18)21(24,22(25,26)27)23(28,29)30/h5,7,10,12,16-18,33H,4,6,8-9,11H2,1-3H3,(H,31,32)/t12?,16-,17+,18+/m0/s1
InChIKeyVBLIEQDNSNLYHD-RNEQGDNISA-N
XLogP5.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-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

N-[3,3,3-trifluoro-1-[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]propyl]acetamide
CID 135022570
1-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 17915921
1-propyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 17916877
4-[4-(dipentylamino)butyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67628677
1-[4-(dipentylamino)butyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67628678
1-[6-(dibutylamino)-6-oxohexyl]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67628827
1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67658274
(8S,9S,10R,13S,14S,17S)-N-ethyl-10,13-dimethyl-3-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 69270342
N-(2,2,3,3,4,4,4-heptafluorobutyl)-9H-fluorene-9-carboxamide
CID 88253250
N-(2,2,3,3,3-pentafluoropropyl)-9H-fluorene-9-carboxamide
CID 88253338
2,2,2-trifluoro-N-[[(8R,9S,13S,14S)-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-13-yl]methyl]acetamide
CID 88394388
(3R,3aR,9bR)-N-(3-acetamidocyclobutyl)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
CID 134491198

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The IUPAC name of (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide (CID 134491193) is (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide.
What is the SMILES notation for (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The canonical SMILES for (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide is CC(CNC(=O)[C@@H]1CC[C@H]2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(C)(C)O.
What is the InChIKey of (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The InChIKey is VBLIEQDNSNLYHD-RNEQGDNISA-N. The full InChI is InChI=1S/C23H28F7NO2/c1-12(20(2,3)33)11-31-19(32)18-9-8-16-15-7-5-14(10-13(15)4-6-17(16)18)21(24,22(25,26)27)23(28,29)30/h5,7,10,12,16-18,33H,4,6,8-9,11H2,1-3H3,(H,31,32)/t12?,16-,17+,18+/m0/s1.
What are the key properties of (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide has a molecular weight of 483.47 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxy-2,3-dimethylbutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide is sourced from PubChem (CID 134491193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).