N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C24H20FNO3 — CID 18204711

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C24H20FNO3/c25-21-12-6-4-8-17(21)14-15-26-24(27)23-20(16-28-18-9-2-1-3-10-18)19-11-5-7-13-22(19)29-23/h1-13H,14-16H2,(H,26,27)
InChIKeyVZOZMGLSSSIBRQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.12
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 18204711) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID18204711
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1ccccc1F)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C24H20FNO3/c25-21-12-6-4-8-17(21)14-15-26-24(27)23-20(16-28-18-9-2-1-3-10-18)19-11-5-7-13-22(19)29-23/h1-13H,14-16H2,(H,26,27)
InChIKeyVZOZMGLSSSIBRQ-UHFFFAOYSA-N
XLogP5.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 51187023
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
CID 28943189
N-[2-(2-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 24512894
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
N-(3-acetamido-4-fluorophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 24656109
3-(phenoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 31945316
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-(3-acetamidophenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7914455

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 18204711) is N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is O=C(NCCc1ccccc1F)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is VZOZMGLSSSIBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c25-21-12-6-4-8-17(21)14-15-26-24(27)23-20(16-28-18-9-2-1-3-10-18)19-11-5-7-13-22(19)29-23/h1-13H,14-16H2,(H,26,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18204711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).