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

C17H16FNO3 — CID 46082456

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C17H16FNO3/c1-21-14-4-2-3-11(8-14)17(20)19-10-15-9-12-7-13(18)5-6-16(12)22-15/h2-8,15H,9-10H2,1H3,(H,19,20)
InChIKeyBETBPULCNXLMJW-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.57
Rot. Bonds4

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide (PubChem CID 46082456) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide
PubChem CID46082456
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC2Cc3cc(F)ccc3O2)c1
InChIInChI=1S/C17H16FNO3/c1-21-14-4-2-3-11(8-14)17(20)19-10-15-9-12-7-13(18)5-6-16(12)22-15/h2-8,15H,9-10H2,1H3,(H,19,20)
InChIKeyBETBPULCNXLMJW-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.57
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]-3-methoxybenzamide?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide (CID 46082456) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC2Cc3cc(F)ccc3O2)c1.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide?
The InChIKey is BETBPULCNXLMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-21-14-4-2-3-11(8-14)17(20)19-10-15-9-12-7-13(18)5-6-16(12)22-15/h2-8,15H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxybenzamide has a molecular weight of 301.32 g/mol, XLogP of 2.57, 4 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]-3-methoxybenzamide is sourced from PubChem (CID 46082456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).