trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide

C19H23F4NO2 — CID 143725135

IUPACtrans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESCC(C)(C[C@]1(C(F)(F)F)CCC[C@H]1C(N)=O)c1cc(F)cc2c1OCC2
InChIInChI=1S/C19H23F4NO2/c1-17(2,14-9-12(20)8-11-5-7-26-15(11)14)10-18(19(21,22)23)6-3-4-13(18)16(24)25/h8-9,13H,3-7,10H2,1-2H3,(H2,24,25)/t13-,18+/m0/s1
InChIKeyRAUSKVYAHKOEDT-SCLBCKFNSA-N
MW373.39 g/mol
LogP4.26
Rot. Bonds4

About trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide

trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide (PubChem CID 143725135) has the molecular formula C19H23F4NO2 and a molecular weight of 373.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide
PubChem CID143725135
Molecular FormulaC19H23F4NO2
Molecular Weight373.39 g/mol
Exact Mass373.17
IUPAC Nametrans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESCC(C)(C[C@]1(C(F)(F)F)CCC[C@H]1C(N)=O)c1cc(F)cc2c1OCC2
InChIInChI=1S/C19H23F4NO2/c1-17(2,14-9-12(20)8-11-5-7-26-15(11)14)10-18(19(21,22)23)6-3-4-13(18)16(24)25/h8-9,13H,3-7,10H2,1-2H3,(H2,24,25)/t13-,18+/m0/s1
InChIKeyRAUSKVYAHKOEDT-SCLBCKFNSA-N
XLogP4.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-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 trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide (CID 143725135) is trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide is CC(C)(C[C@]1(C(F)(F)F)CCC[C@H]1C(N)=O)c1cc(F)cc2c1OCC2.
What is the InChIKey of trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide?
The InChIKey is RAUSKVYAHKOEDT-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H23F4NO2/c1-17(2,14-9-12(20)8-11-5-7-26-15(11)14)10-18(19(21,22)23)6-3-4-13(18)16(24)25/h8-9,13H,3-7,10H2,1-2H3,(H2,24,25)/t13-,18+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide?
trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 143725135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).