1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone

C18H17NO3 — CID 162660419

IUPAC1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone
SMILESCOc1cc(Nc2cccc3cc(C(C)=O)oc23)ccc1C
InChIInChI=1S/C18H17NO3/c1-11-7-8-14(10-16(11)21-3)19-15-6-4-5-13-9-17(12(2)20)22-18(13)15/h4-10,19H,1-3H3
InChIKeyCQNFZUITWDXKRB-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.70
Rot. Bonds4

About 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone

1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone (PubChem CID 162660419) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone
PubChem CID162660419
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone
SMILESCOc1cc(Nc2cccc3cc(C(C)=O)oc23)ccc1C
InChIInChI=1S/C18H17NO3/c1-11-7-8-14(10-16(11)21-3)19-15-6-4-5-13-9-17(12(2)20)22-18(13)15/h4-10,19H,1-3H3
InChIKeyCQNFZUITWDXKRB-UHFFFAOYSA-N
XLogP4.70
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
(2-methoxy-5-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 115957340
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78875769
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
1-[7-(2,3-dihydroxypropoxy)-1-benzofuran-2-yl]ethanone
CID 13130644
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343
ethyl 4-[[2-[4-(3,4-dimethoxyanilino)-4-oxobut-2-en-2-yl]-1-benzofuran-7-yl]oxy]butanoate
CID 69072292
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729

Frequently Asked Questions

What is the IUPAC name of 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone (CID 162660419) is 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone is COc1cc(Nc2cccc3cc(C(C)=O)oc23)ccc1C.
What is the InChIKey of 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone?
The InChIKey is CQNFZUITWDXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-7-8-14(10-16(11)21-3)19-15-6-4-5-13-9-17(12(2)20)22-18(13)15/h4-10,19H,1-3H3.
What are the key properties of 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone?
1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3-methoxy-4-methylanilino)-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 162660419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).