N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide

C20H20ClNO3 — CID 11002840

IUPACN-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H20ClNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)
InChIKeyZIYGGMCXBZJOAI-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.36
Rot. Bonds6

About N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide

N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide (PubChem CID 11002840) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
PubChem CID11002840
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC NameN-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide
SMILESCOc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H20ClNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)
InChIKeyZIYGGMCXBZJOAI-UHFFFAOYSA-N
XLogP4.36
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S24014
CID 9998187
N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide
CID 10059864
N-[2-(8,9-dihydro-7H-furo[3,2-f]chromen-1-yl)ethyl]acetamide
CID 9834952
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]-2-iodo-acetamide
CID 11733059

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide (CID 11002840) is N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide is COc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide?
The InChIKey is ZIYGGMCXBZJOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23).
What are the key properties of N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide?
N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide has a molecular weight of 357.84 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-chlorophenyl)methyl]-5-methoxy-1-benzofuran-3-yl]ethyl]acetamide is sourced from PubChem (CID 11002840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).