3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide

C21H17NO3 — CID 7734068

IUPAC3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc3ccccc23)oc2ccccc12
InChIInChI=1S/C21H17NO3/c1-24-13-17-16-10-4-5-12-19(16)25-20(17)21(23)22-18-11-6-8-14-7-2-3-9-15(14)18/h2-12H,13H2,1H3,(H,22,23)
InChIKeyRTIXXPSHGULTQX-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.98
Rot. Bonds4

About 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide (PubChem CID 7734068) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
PubChem CID7734068
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc3ccccc23)oc2ccccc12
InChIInChI=1S/C21H17NO3/c1-24-13-17-16-10-4-5-12-19(16)25-20(17)21(23)22-18-11-6-8-14-7-2-3-9-15(14)18/h2-12H,13H2,1H3,(H,22,23)
InChIKeyRTIXXPSHGULTQX-UHFFFAOYSA-N
XLogP4.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400
N-(2,5-difluorophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7770218
N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18112860
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 30729033
3-(methoxymethyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 51114297
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
N-(2-fluoro-5-methylsulfonylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 34188198

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide (CID 7734068) is 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2cccc3ccccc23)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide?
The InChIKey is RTIXXPSHGULTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-13-17-16-10-4-5-12-19(16)25-20(17)21(23)22-18-11-6-8-14-7-2-3-9-15(14)18/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7734068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).