N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide

C24H20FNO3 — CID 18860713

IUPACN-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3ccc(F)cc23)cc1
InChIInChI=1S/C24H20FNO3/c1-28-21-10-8-20(9-11-21)26(15-17-5-3-2-4-6-17)24(27)13-18-16-29-23-12-7-19(25)14-22(18)23/h2-12,14,16H,13,15H2,1H3
InChIKeyWDXRRARBHMVDEN-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.36
Rot. Bonds6

About N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide

N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 18860713) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID18860713
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC NameN-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3ccc(F)cc23)cc1
InChIInChI=1S/C24H20FNO3/c1-28-21-10-8-20(9-11-21)26(15-17-5-3-2-4-6-17)24(27)13-18-16-29-23-12-7-19(25)14-22(18)23/h2-12,14,16H,13,15H2,1H3
InChIKeyWDXRRARBHMVDEN-UHFFFAOYSA-N
XLogP5.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18861230
N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 18861012
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
2-chloro-N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39442873
N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
CID 18861632
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 110488687
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide (CID 18860713) is N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3ccc(F)cc23)cc1.
What is the InChIKey of N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is WDXRRARBHMVDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-28-21-10-8-20(9-11-21)26(15-17-5-3-2-4-6-17)24(27)13-18-16-29-23-12-7-19(25)14-22(18)23/h2-12,14,16H,13,15H2,1H3.
What are the key properties of N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide?
N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-fluoro-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18860713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).