5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide

C21H20FNO4 — CID 163379307

IUPAC5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(CO)CC1
InChIInChI=1S/C21H20FNO4/c1-13-19(20(25)23-21(12-24)8-9-21)16-10-15(6-7-18(16)27-13)26-11-14-4-2-3-5-17(14)22/h2-7,10,24H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyGJZUVWCFDSWWBE-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.71
Rot. Bonds6

About 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide

5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163379307) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163379307
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Name5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(CO)CC1
InChIInChI=1S/C21H20FNO4/c1-13-19(20(25)23-21(12-24)8-9-21)16-10-15(6-7-18(16)27-13)26-11-14-4-2-3-5-17(14)22/h2-7,10,24H,8-9,11-12H2,1H3,(H,23,25)
InChIKeyGJZUVWCFDSWWBE-UHFFFAOYSA-N
XLogP3.71
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163379346
N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163381037
5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379508
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(5-methylpyrazin-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380239
N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380438
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-5-[(2-methylpyrimidin-4-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380766
5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379434
N-[4-(hydroxymethyl)oxan-4-yl]-5-(2-hydroxy-1-phenylethoxy)-2-methyl-1-benzofuran-3-carboxamide
CID 163379368
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclobutyl]-2-methylindazole-3-carboxamide
CID 170602911
5-[(E,2E)-3-fluoro-2-(1-fluoroethylidene)pent-3-enoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 167086000
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[dideuterio-(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129124
5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379483

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide (CID 163379307) is 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(CO)CC1.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is GJZUVWCFDSWWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-13-19(20(25)23-21(12-24)8-9-21)16-10-15(6-7-18(16)27-13)26-11-14-4-2-3-5-17(14)22/h2-7,10,24H,8-9,11-12H2,1H3,(H,23,25).
What are the key properties of 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide?
5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).