N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide

C17H15NO3 — CID 113200012

IUPACN-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
SMILESO=C(Nc1ccccc1)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C17H15NO3/c19-17(18-12-4-2-1-3-5-12)15-13-7-9-20-14(13)10-11-6-8-21-16(11)15/h1-5,10H,6-9H2,(H,18,19)
InChIKeyMHCRUHIIOYVPIB-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.81
Rot. Bonds2

About N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide

N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide (PubChem CID 113200012) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
PubChem CID113200012
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
SMILESO=C(Nc1ccccc1)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C17H15NO3/c19-17(18-12-4-2-1-3-5-12)15-13-7-9-20-14(13)10-11-6-8-21-16(11)15/h1-5,10H,6-9H2,(H,18,19)
InChIKeyMHCRUHIIOYVPIB-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
CID 113200071
N-(3,5-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200103
N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200075
N-(3,4-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200100
N-(4-piperidin-1-ylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200077
N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200025
N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200045
1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 113217836
N-prop-2-enyl-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199376
N-[(4-methoxyphenyl)methyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113199957
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026
1-(4-chlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217652

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The IUPAC name of N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide (CID 113200012) is N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide.
What is the SMILES notation for N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The canonical SMILES for N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide is O=C(Nc1ccccc1)c1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The InChIKey is MHCRUHIIOYVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(18-12-4-2-1-3-5-12)15-13-7-9-20-14(13)10-11-6-8-21-16(11)15/h1-5,10H,6-9H2,(H,18,19).
What are the key properties of N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide is sourced from PubChem (CID 113200012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).