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

C21H19FN2O5 — CID 163379346

IUPACN-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(C(N)=O)COC1
InChIInChI=1S/C21H19FN2O5/c1-12-18(19(25)24-21(20(23)26)10-27-11-21)15-8-14(6-7-17(15)29-12)28-9-13-4-2-3-5-16(13)22/h2-8H,9-11H2,1H3,(H2,23,26)(H,24,25)
InChIKeyQXKFRKQQHNRWGS-UHFFFAOYSA-N
MW398.39 g/mol
LogP2.44
Rot. Bonds6

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

N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163379346) has the molecular formula C21H19FN2O5 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163379346
Molecular FormulaC21H19FN2O5
Molecular Weight398.39 g/mol
Exact Mass398.13
IUPAC NameN-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(C(N)=O)COC1
InChIInChI=1S/C21H19FN2O5/c1-12-18(19(25)24-21(20(23)26)10-27-11-21)15-8-14(6-7-17(15)29-12)28-9-13-4-2-3-5-16(13)22/h2-8H,9-11H2,1H3,(H2,23,26)(H,24,25)
InChIKeyQXKFRKQQHNRWGS-UHFFFAOYSA-N
XLogP2.44
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorophenyl)methoxy]-N-[1-(hydroxymethyl)cyclopropyl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379307
N-(1-carbamoylcyclobutyl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380544
5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379508
N-(4-carbamoyloxan-4-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380093
N-(3-carbamoyloxetan-3-yl)-2-methyl-5-(pyridin-2-ylmethoxy)furo[2,3-c]pyridine-3-carboxamide
CID 170599700
5-[(2-fluorophenyl)methoxy]-N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379434
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
N-[3-(hydroxymethyl)oxan-3-yl]-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380438
N-[1-(hydroxymethyl)cyclobutyl]-5-[(2-methoxy-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163381037
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(difluoromethyl)-3-pyridinyl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163380991
2-methyl-N-methylsulfonyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379631

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 163379346) is N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)NC1(C(N)=O)COC1.
What is the InChIKey of N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is QXKFRKQQHNRWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5/c1-12-18(19(25)24-21(20(23)26)10-27-11-21)15-8-14(6-7-17(15)29-12)28-9-13-4-2-3-5-16(13)22/h2-8H,9-11H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyloxetan-3-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).