(4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one

C19H15F2NO2 — CID 139193702

IUPAC(4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one
SMILESO=C1N(c2ccccc2)C[C@@H](Cc2cc3ccccc3o2)C1(F)F
InChIInChI=1S/C19H15F2NO2/c20-19(21)14(11-16-10-13-6-4-5-9-17(13)24-16)12-22(18(19)23)15-7-2-1-3-8-15/h1-10,14H,11-12H2/t14-/m1/s1
InChIKeyTXWZATBZPDVMSZ-CQSZACIVSA-N
MW327.33 g/mol
LogP4.27
Rot. Bonds3

About (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one

(4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one (PubChem CID 139193702) has the molecular formula C19H15F2NO2 and a molecular weight of 327.33 g/mol. Its IUPAC name is (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one
PubChem CID139193702
Molecular FormulaC19H15F2NO2
Molecular Weight327.33 g/mol
Exact Mass327.11
IUPAC Name(4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one
SMILESO=C1N(c2ccccc2)C[C@@H](Cc2cc3ccccc3o2)C1(F)F
InChIInChI=1S/C19H15F2NO2/c20-19(21)14(11-16-10-13-6-4-5-9-17(13)24-16)12-22(18(19)23)15-7-2-1-3-8-15/h1-10,14H,11-12H2/t14-/m1/s1
InChIKeyTXWZATBZPDVMSZ-CQSZACIVSA-N
XLogP4.27
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 725651
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
[4-(dimethylamino)phenyl](2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 10110088
1-(1-Benzofuran-2-yl)-3-[(3-fluorophenyl)amino]propan-1-one
CID 1508394
Benzofuran-2-yl(indolin-1-yl)methanone
CID 780029
N-(4-pyrrolidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 675058
2-(6-Methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2546081
2,3-Dihydroindol-1-yl-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 7958162
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 9119435
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9328527
(3-Methyl-1-benzofuran-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 16293355
1-(1-Benzofuran-2-yl)-3-[(4-fluorophenyl)amino]propan-1-one
CID 1503535

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one (CID 139193702) is (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one is O=C1N(c2ccccc2)C[C@@H](Cc2cc3ccccc3o2)C1(F)F.
What is the InChIKey of (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one?
The InChIKey is TXWZATBZPDVMSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H15F2NO2/c20-19(21)14(11-16-10-13-6-4-5-9-17(13)24-16)12-22(18(19)23)15-7-2-1-3-8-15/h1-10,14H,11-12H2/t14-/m1/s1.
What are the key properties of (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one?
(4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one has a molecular weight of 327.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1-benzofuran-2-ylmethyl)-3,3-difluoro-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 139193702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).