N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide

C19H20FNO4 — CID 119045460

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide
SMILESCOc1ccc(F)c(C(=O)NCCc2ccc3c(c2)CCO3)c1OC
InChIInChI=1S/C19H20FNO4/c1-23-16-6-4-14(20)17(18(16)24-2)19(22)21-9-7-12-3-5-15-13(11-12)8-10-25-15/h3-6,11H,7-10H2,1-2H3,(H,21,22)
InChIKeyKEVOLPJSGJGSAE-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide (PubChem CID 119045460) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide
PubChem CID119045460
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide
SMILESCOc1ccc(F)c(C(=O)NCCc2ccc3c(c2)CCO3)c1OC
InChIInChI=1S/C19H20FNO4/c1-23-16-6-4-14(20)17(18(16)24-2)19(22)21-9-7-12-3-5-15-13(11-12)8-10-25-15/h3-6,11H,7-10H2,1-2H3,(H,21,22)
InChIKeyKEVOLPJSGJGSAE-UHFFFAOYSA-N
XLogP2.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
CID 110792373
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111562525
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110792411
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86950651
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide
CID 86950625
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 60536373
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
methyl 4-[2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]ethyl]benzoate
CID 51075520

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide (CID 119045460) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide is COc1ccc(F)c(C(=O)NCCc2ccc3c(c2)CCO3)c1OC.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide?
The InChIKey is KEVOLPJSGJGSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-23-16-6-4-14(20)17(18(16)24-2)19(22)21-9-7-12-3-5-15-13(11-12)8-10-25-15/h3-6,11H,7-10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide has a molecular weight of 345.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-fluoro-2,3-dimethoxybenzamide is sourced from PubChem (CID 119045460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).