N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide

C21H24FNO2 — CID 10545189

IUPACN-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide
SMILESCc1c(C)c2c(c(C)c1NC=O)CC(C)(CCc1ccc(F)cc1)O2
InChIInChI=1S/C21H24FNO2/c1-13-14(2)20-18(15(3)19(13)23-12-24)11-21(4,25-20)10-9-16-5-7-17(22)8-6-16/h5-8,12H,9-11H2,1-4H3,(H,23,24)
InChIKeyZNIWWPUQMHPMMV-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.65
Rot. Bonds5

About N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide

N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide (PubChem CID 10545189) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide
PubChem CID10545189
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC NameN-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide
SMILESCc1c(C)c2c(c(C)c1NC=O)CC(C)(CCc1ccc(F)cc1)O2
InChIInChI=1S/C21H24FNO2/c1-13-14(2)20-18(15(3)19(13)23-12-24)11-21(4,25-20)10-9-16-5-7-17(22)8-6-16/h5-8,12H,9-11H2,1-4H3,(H,23,24)
InChIKeyZNIWWPUQMHPMMV-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide (CID 10545189) is N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide is Cc1c(C)c2c(c(C)c1NC=O)CC(C)(CCc1ccc(F)cc1)O2.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide?
The InChIKey is ZNIWWPUQMHPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-13-14(2)20-18(15(3)19(13)23-12-24)11-21(4,25-20)10-9-16-5-7-17(22)8-6-16/h5-8,12H,9-11H2,1-4H3,(H,23,24).
What are the key properties of N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide?
N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide has a molecular weight of 341.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]formamide is sourced from PubChem (CID 10545189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).