N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide

C23H21FN2O3 — CID 45165995

IUPACN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1
InChIInChI=1S/C23H21FN2O3/c1-15(28-18-7-3-2-4-8-18)23(27)26-14-19-12-16-11-17(24)13-20(22(16)29-19)21-9-5-6-10-25-21/h2-11,13,15,19H,12,14H2,1H3,(H,26,27)
InChIKeyBEALMAQQCNXIIU-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.77
Rot. Bonds6

About N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide

N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide (PubChem CID 45165995) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide
PubChem CID45165995
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC NameN-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1
InChIInChI=1S/C23H21FN2O3/c1-15(28-18-7-3-2-4-8-18)23(27)26-14-19-12-16-11-17(24)13-20(22(16)29-19)21-9-5-6-10-25-21/h2-11,13,15,19H,12,14H2,1H3,(H,26,27)
InChIKeyBEALMAQQCNXIIU-UHFFFAOYSA-N
XLogP3.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide (CID 45165995) is N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC1Cc2cc(F)cc(-c3ccccn3)c2O1.
What is the InChIKey of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide?
The InChIKey is BEALMAQQCNXIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-15(28-18-7-3-2-4-8-18)23(27)26-14-19-12-16-11-17(24)13-20(22(16)29-19)21-9-5-6-10-25-21/h2-11,13,15,19H,12,14H2,1H3,(H,26,27).
What are the key properties of N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide?
N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide has a molecular weight of 392.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 45165995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).