(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide

C21H20F3NO3 — CID 26332714

IUPAC(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)[C@@H]1CCOC1
InChIInChI=1S/C21H20F3NO3/c22-21(23,24)18-7-2-1-5-16(18)17-6-3-4-13-10-15(28-19(13)17)11-25-20(26)14-8-9-27-12-14/h1-7,14-15H,8-12H2,(H,25,26)/t14-,15+/m1/s1
InChIKeySASCNYZBLFROSP-CABCVRRESA-N
MW391.39 g/mol
LogP3.83
Rot. Bonds4

About (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide

(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide (PubChem CID 26332714) has the molecular formula C21H20F3NO3 and a molecular weight of 391.39 g/mol. Its IUPAC name is (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
PubChem CID26332714
Molecular FormulaC21H20F3NO3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)[C@@H]1CCOC1
InChIInChI=1S/C21H20F3NO3/c22-21(23,24)18-7-2-1-5-16(18)17-6-3-4-13-10-15(28-19(13)17)11-25-20(26)14-8-9-27-12-14/h1-7,14-15H,8-12H2,(H,25,26)/t14-,15+/m1/s1
InChIKeySASCNYZBLFROSP-CABCVRRESA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxane-4-carboxamide
CID 45192660
(3S)-N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 42360420
(4S,6R)-6-methyl-2-sulfanylidene-N-[[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-diazinane-4-carboxamide
CID 45247446
(2R)-2-morpholin-4-yl-N-[[(2R)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 29256735
3-methoxy-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 26399670
[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 141132370
(3S)-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide
CID 26353536
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopropanecarboxamide
CID 45207708
N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 46090263
2-methyl-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 174539381
N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 70845448
N-[[(2R)-7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclobutanecarboxamide
CID 42484271

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide (CID 26332714) is (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide is O=C(NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
The InChIKey is SASCNYZBLFROSP-CABCVRRESA-N. The full InChI is InChI=1S/C21H20F3NO3/c22-21(23,24)18-7-2-1-5-16(18)17-6-3-4-13-10-15(28-19(13)17)11-25-20(26)14-8-9-27-12-14/h1-7,14-15H,8-12H2,(H,25,26)/t14-,15+/m1/s1.
What are the key properties of (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide?
(3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2S)-7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 26332714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).