2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide

C16H14FNO3 — CID 127025784

IUPAC2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide
SMILESCOc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1
InChIInChI=1S/C16H14FNO3/c1-20-11-4-2-10-3-5-15-14(13(10)6-11)7-12(21-15)9-18-16(19)8-17/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyUROMGDLPCGUXCO-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.18
Rot. Bonds4

About 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide

2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide (PubChem CID 127025784) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide
PubChem CID127025784
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide
SMILESCOc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1
InChIInChI=1S/C16H14FNO3/c1-20-11-4-2-10-3-5-15-14(13(10)6-11)7-12(21-15)9-18-16(19)8-17/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyUROMGDLPCGUXCO-UHFFFAOYSA-N
XLogP3.18
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
CID 44623954
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(7-{4-[3-(2-acetylaminoethyl)benzofuran-5-yloxy]butoxy}naphthalen-1-yl)ethyl]-acetamide
CID 9870683
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 9884406
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219
But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 10925712
But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-amide
CID 10926138
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acrylamide
CID 11723593
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-butyramide
CID 11810280

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide?
The IUPAC name of 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide (CID 127025784) is 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide is COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1.
What is the InChIKey of 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide?
The InChIKey is UROMGDLPCGUXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-20-11-4-2-10-3-5-15-14(13(10)6-11)7-12(21-15)9-18-16(19)8-17/h2-7H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide?
2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide has a molecular weight of 287.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(8-methoxybenzo[e][1]benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 127025784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).