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

C18H18FNO3 — CID 46090202

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H18FNO3/c1-12(22-15-5-3-2-4-6-15)18(21)20-11-16-10-13-9-14(19)7-8-17(13)23-16/h2-9,12,16H,10-11H2,1H3,(H,20,21)
InChIKeyPTDQFCZDMKJVPC-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.71
Rot. Bonds5

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide (PubChem CID 46090202) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide
PubChem CID46090202
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C18H18FNO3/c1-12(22-15-5-3-2-4-6-15)18(21)20-11-16-10-13-9-14(19)7-8-17(13)23-16/h2-9,12,16H,10-11H2,1H3,(H,20,21)
InChIKeyPTDQFCZDMKJVPC-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide (CID 46090202) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC1Cc2cc(F)ccc2O1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide?
The InChIKey is PTDQFCZDMKJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-12(22-15-5-3-2-4-6-15)18(21)20-11-16-10-13-9-14(19)7-8-17(13)23-16/h2-9,12,16H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide has a molecular weight of 315.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 46090202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).