5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide

C23H23FN2O5 — CID 163379434

IUPAC5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1CCN(CCO)C1=O
InChIInChI=1S/C23H23FN2O5/c1-14-21(22(28)25-19-8-9-26(10-11-27)23(19)29)17-12-16(6-7-20(17)31-14)30-13-15-4-2-3-5-18(15)24/h2-7,12,19,27H,8-11,13H2,1H3,(H,25,28)
InChIKeyZFLNQRSFYGBHPL-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.78
Rot. Bonds7

About 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide

5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163379434) has the molecular formula C23H23FN2O5 and a molecular weight of 426.44 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163379434
Molecular FormulaC23H23FN2O5
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1CCN(CCO)C1=O
InChIInChI=1S/C23H23FN2O5/c1-14-21(22(28)25-19-8-9-26(10-11-27)23(19)29)17-12-16(6-7-20(17)31-14)30-13-15-4-2-3-5-18(15)24/h2-7,12,19,27H,8-11,13H2,1H3,(H,25,28)
InChIKeyZFLNQRSFYGBHPL-UHFFFAOYSA-N
XLogP2.78
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide (CID 163379434) is 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1CCN(CCO)C1=O.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is ZFLNQRSFYGBHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5/c1-14-21(22(28)25-19-8-9-26(10-11-27)23(19)29)17-12-16(6-7-20(17)31-14)30-13-15-4-2-3-5-18(15)24/h2-7,12,19,27H,8-11,13H2,1H3,(H,25,28).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide?
5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).