5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide

C21H22FNO4 — CID 163379667

IUPAC5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(COc3ccccc3F)cc2c1C(=O)NC(C)(C)CO
InChIInChI=1S/C21H22FNO4/c1-13-19(20(25)23-21(2,3)12-24)15-10-14(8-9-17(15)27-13)11-26-18-7-5-4-6-16(18)22/h4-10,24H,11-12H2,1-3H3,(H,23,25)
InChIKeyWDZLQUIFQSXTLS-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.96
Rot. Bonds6

About 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163379667) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163379667
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(COc3ccccc3F)cc2c1C(=O)NC(C)(C)CO
InChIInChI=1S/C21H22FNO4/c1-13-19(20(25)23-21(2,3)12-24)15-10-14(8-9-17(15)27-13)11-26-18-7-5-4-6-16(18)22/h4-10,24H,11-12H2,1-3H3,(H,23,25)
InChIKeyWDZLQUIFQSXTLS-UHFFFAOYSA-N
XLogP3.96
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1-benzofuran-3-carboxamide
CID 177038749
6-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-2-methyl-5-(2-methylphenoxy)-1-benzofuran-3-carboxamide
CID 177038592
methyl 2-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 103749344
3-hydroxy-2-methyl-2-[[2-methyl-5-(2,2,2-trifluoroethoxy)-1-benzofuran-3-carbonyl]amino]propanoic acid
CID 170347532
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379307
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380170
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 114559568
N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 110878329
4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2-fluorophenoxy)methyl]-2-methyl-1-benzofuran-3-carboxamide
CID 175486671

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide (CID 163379667) is 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(COc3ccccc3F)cc2c1C(=O)NC(C)(C)CO.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is WDZLQUIFQSXTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-13-19(20(25)23-21(2,3)12-24)15-10-14(8-9-17(15)27-13)11-26-18-7-5-4-6-16(18)22/h4-10,24H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).