5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide

C12H12FNO3 — CID 91498486

IUPAC5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1oc2ccc(OCF)cc2c1C
InChIInChI=1S/C12H12FNO3/c1-7-9-5-8(16-6-13)3-4-10(9)17-11(7)12(15)14-2/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyRMCQRQABQSTDOD-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.41
Rot. Bonds3

About 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide

5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 91498486) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID91498486
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1oc2ccc(OCF)cc2c1C
InChIInChI=1S/C12H12FNO3/c1-7-9-5-8(16-6-13)3-4-10(9)17-11(7)12(15)14-2/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyRMCQRQABQSTDOD-UHFFFAOYSA-N
XLogP2.41
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 42907524
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2412037
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 91498486) is 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide is CNC(=O)c1oc2ccc(OCF)cc2c1C.
What is the InChIKey of 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is RMCQRQABQSTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-7-9-5-8(16-6-13)3-4-10(9)17-11(7)12(15)14-2/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide?
5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91498486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).