N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

C21H17NO5 — CID 28669452

IUPACN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H17NO5/c1-25-19-8-6-14(18-9-7-15(12-23)26-18)10-16(19)22-21(24)20-11-13-4-2-3-5-17(13)27-20/h2-11,23H,12H2,1H3,(H,22,24)
InChIKeyNUDSNDVBNKVAEZ-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.45
Rot. Bonds5

About N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 28669452) has the molecular formula C21H17NO5 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID28669452
Molecular FormulaC21H17NO5
Molecular Weight363.37 g/mol
Exact Mass363.11
IUPAC NameN-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C21H17NO5/c1-25-19-8-6-14(18-9-7-15(12-23)26-18)10-16(19)22-21(24)20-11-13-4-2-3-5-17(13)27-20/h2-11,23H,12H2,1H3,(H,22,24)
InChIKeyNUDSNDVBNKVAEZ-UHFFFAOYSA-N
XLogP4.45
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675580
5-(3-chlorophenyl)-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]furan-2-carboxamide
CID 28670300
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-4-methylbenzamide
CID 28666764
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 28674937
4-bromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28667739
3,5-dibromo-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2-iodobenzamide
CID 43866247
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 28671053
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 28688628
N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 28688538
4-[(2R)-butan-2-yl]oxy-N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]benzamide
CID 28672946
N-(2-amino-5-phenylphenyl)-5,6-dimethoxy-1-benzofuran-2-carboxamide
CID 59737565

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 28669452) is N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NUDSNDVBNKVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5/c1-25-19-8-6-14(18-9-7-15(12-23)26-18)10-16(19)22-21(24)20-11-13-4-2-3-5-17(13)27-20/h2-11,23H,12H2,1H3,(H,22,24).
What are the key properties of N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 28669452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).