N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

C19H18FNO3 — CID 46963997

IUPACN-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCC(NC(=O)c1c(C)oc2ccc(O)cc12)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-3-16(12-4-6-13(20)7-5-12)21-19(23)18-11(2)24-17-9-8-14(22)10-15(17)18/h4-10,16,22H,3H2,1-2H3,(H,21,23)
InChIKeyLBXZGUXGERWYBE-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.47
Rot. Bonds4

About N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 46963997) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID46963997
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCCC(NC(=O)c1c(C)oc2ccc(O)cc12)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO3/c1-3-16(12-4-6-13(20)7-5-12)21-19(23)18-11(2)24-17-9-8-14(22)10-15(17)18/h4-10,16,22H,3H2,1-2H3,(H,21,23)
InChIKeyLBXZGUXGERWYBE-UHFFFAOYSA-N
XLogP4.47
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide (CID 46963997) is N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide is CCC(NC(=O)c1c(C)oc2ccc(O)cc12)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is LBXZGUXGERWYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-3-16(12-4-6-13(20)7-5-12)21-19(23)18-11(2)24-17-9-8-14(22)10-15(17)18/h4-10,16,22H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46963997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).