N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide

C21H22FNO4 — CID 58047453

IUPACN-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
SMILESCCOc1ccc(COc2ccc3oc(C(C)NC(C)=O)cc3c2)c(F)c1
InChIInChI=1S/C21H22FNO4/c1-4-25-18-6-5-15(19(22)11-18)12-26-17-7-8-20-16(9-17)10-21(27-20)13(2)23-14(3)24/h5-11,13H,4,12H2,1-3H3,(H,23,24)
InChIKeyRHQZTJXELUSXHM-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.75
Rot. Bonds7

About N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide

N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide (PubChem CID 58047453) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
PubChem CID58047453
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC NameN-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
SMILESCCOc1ccc(COc2ccc3oc(C(C)NC(C)=O)cc3c2)c(F)c1
InChIInChI=1S/C21H22FNO4/c1-4-25-18-6-5-15(19(22)11-18)12-26-17-7-8-20-16(9-17)10-21(27-20)13(2)23-14(3)24/h5-11,13H,4,12H2,1-3H3,(H,23,24)
InChIKeyRHQZTJXELUSXHM-UHFFFAOYSA-N
XLogP4.75
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[6-[(4-ethoxyphenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047353
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
CID 146127773
N-[1-[5-[2-(4-hydroxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047066
N-[1-[6-[2-(4-propoxyphenyl)ethyl]-1-benzofuran-2-yl]ethyl]acetamide
CID 58047216
1-(4-ethoxy-2-fluorophenyl)propan-2-amine
CID 55254145
N-[1-[6-(3-ethoxyphenoxy)naphthalen-2-yl]ethyl]acetamide
CID 68759728
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 18087446
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide?
The IUPAC name of N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide (CID 58047453) is N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide?
The canonical SMILES for N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide is CCOc1ccc(COc2ccc3oc(C(C)NC(C)=O)cc3c2)c(F)c1.
What is the InChIKey of N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide?
The InChIKey is RHQZTJXELUSXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-4-25-18-6-5-15(19(22)11-18)12-26-17-7-8-20-16(9-17)10-21(27-20)13(2)23-14(3)24/h5-11,13H,4,12H2,1-3H3,(H,23,24).
What are the key properties of N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide?
N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(4-ethoxy-2-fluorophenyl)methoxy]-1-benzofuran-2-yl]ethyl]acetamide is sourced from PubChem (CID 58047453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).