N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

C18H16FNO2 — CID 33005199

IUPACN-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1oc2ccccc2c1C)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-3-20(14-10-8-13(19)9-11-14)18(21)17-12(2)15-6-4-5-7-16(15)22-17/h4-11H,3H2,1-2H3
InChIKeyGKPAOQAPCPAJHC-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.55
Rot. Bonds3

About N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 33005199) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID33005199
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC NameN-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1oc2ccccc2c1C)c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-3-20(14-10-8-13(19)9-11-14)18(21)17-12(2)15-6-4-5-7-16(15)22-17/h4-11H,3H2,1-2H3
InChIKeyGKPAOQAPCPAJHC-UHFFFAOYSA-N
XLogP4.55
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 27104969
5-bromo-N-ethyl-3-methyl-N-phenyl-1-benzofuran-2-carboxamide
CID 18190752
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7995434
[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8506388
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592661
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 60717668
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18167066

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 33005199) is N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is CCN(C(=O)c1oc2ccccc2c1C)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GKPAOQAPCPAJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-3-20(14-10-8-13(19)9-11-14)18(21)17-12(2)15-6-4-5-7-16(15)22-17/h4-11H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 33005199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).