N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide

C17H16FNO2 — CID 80710892

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2Cc3ccccc3O2)c1F
InChIInChI=1S/C17H16FNO2/c1-11-5-4-7-14(16(11)18)17(20)19-10-13-9-12-6-2-3-8-15(12)21-13/h2-8,13H,9-10H2,1H3,(H,19,20)
InChIKeyOLUGQMGISRUOBT-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.87
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide (PubChem CID 80710892) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
PubChem CID80710892
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2Cc3ccccc3O2)c1F
InChIInChI=1S/C17H16FNO2/c1-11-5-4-7-14(16(11)18)17(20)19-10-13-9-12-6-2-3-8-15(12)21-13/h2-8,13H,9-10H2,1H3,(H,19,20)
InChIKeyOLUGQMGISRUOBT-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylbenzamide
CID 92756956
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-3-nitrobenzamide
CID 51938161
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37294905
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-hydroxy-3-nitrobenzamide
CID 99628312
4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 97065065
N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylbenzamide
CID 46090223
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 86877169
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
CID 55965542
5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 94096638

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide (CID 80710892) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCC2Cc3ccccc3O2)c1F.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide?
The InChIKey is OLUGQMGISRUOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-5-4-7-14(16(11)18)17(20)19-10-13-9-12-6-2-3-8-15(12)21-13/h2-8,13H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide has a molecular weight of 285.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80710892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).