N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide

C19H18FNO2 — CID 42945863

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1F
InChIInChI=1S/C19H18FNO2/c1-13(18-11-15-8-4-6-10-17(15)23-18)21(2)19(22)12-14-7-3-5-9-16(14)20/h3-11,13H,12H2,1-2H3
InChIKeyOTJMYAARSLEWAO-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.33
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide (PubChem CID 42945863) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide
PubChem CID42945863
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1F
InChIInChI=1S/C19H18FNO2/c1-13(18-11-15-8-4-6-10-17(15)23-18)21(2)19(22)12-14-7-3-5-9-16(14)20/h3-11,13H,12H2,1-2H3
InChIKeyOTJMYAARSLEWAO-UHFFFAOYSA-N
XLogP4.33
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-((Benzofuran-2-yl)methyl)-N''-(4''-methoxybenzyl)piperazine
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Benzofuran-2-yl(pyrrolidin-1-yl)methanone
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2-Benzofuranyl-4-morpholinylmethanone
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1,3,4,5,6,11b-Hexahydro-2H-11-oxa-4a-aza-benzo[a]fluorene
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CID 23723907

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide (CID 42945863) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide is CC(c1cc2ccccc2o1)N(C)C(=O)Cc1ccccc1F.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide?
The InChIKey is OTJMYAARSLEWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-13(18-11-15-8-4-6-10-17(15)23-18)21(2)19(22)12-14-7-3-5-9-16(14)20/h3-11,13H,12H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide has a molecular weight of 311.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 42945863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).