2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide

C20H20FNO3 — CID 10246691

IUPAC2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c(C)cc(OC(C)C)cc12
InChIInChI=1S/C20H20FNO3/c1-11(2)24-15-9-12(3)18-16(10-15)17(20(23)22-4)19(25-18)13-5-7-14(21)8-6-13/h5-11H,1-4H3,(H,22,23)
InChIKeyXMAOKRMXPLELQZ-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.69
Rot. Bonds4

About 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide (PubChem CID 10246691) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
PubChem CID10246691
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2c(C)cc(OC(C)C)cc12
InChIInChI=1S/C20H20FNO3/c1-11(2)24-15-9-12(3)18-16(10-15)17(20(23)22-4)19(25-18)13-5-7-14(21)8-6-13/h5-11H,1-4H3,(H,22,23)
InChIKeyXMAOKRMXPLELQZ-UHFFFAOYSA-N
XLogP4.69
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide (CID 10246691) is 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2c(C)cc(OC(C)C)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide?
The InChIKey is XMAOKRMXPLELQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-11(2)24-15-9-12(3)18-16(10-15)17(20(23)22-4)19(25-18)13-5-7-14(21)8-6-13/h5-11H,1-4H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,7-dimethyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 10246691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).