N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide

C17H13ClFNO3 — CID 113200045

IUPACN-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C17H13ClFNO3/c18-12-8-10(1-2-13(12)19)20-17(21)15-11-4-6-22-14(11)7-9-3-5-23-16(9)15/h1-2,7-8H,3-6H2,(H,20,21)
InChIKeyNVYRDSXVVASXPN-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.60
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide (PubChem CID 113200045) has the molecular formula C17H13ClFNO3 and a molecular weight of 333.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
PubChem CID113200045
Molecular FormulaC17H13ClFNO3
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C17H13ClFNO3/c18-12-8-10(1-2-13(12)19)20-17(21)15-11-4-6-22-14(11)7-9-3-5-23-16(9)15/h1-2,7-8H,3-6H2,(H,20,21)
InChIKeyNVYRDSXVVASXPN-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200100
N-(3,5-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200103
N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200012
methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
CID 113200071
N-[4-(diethylamino)phenyl]-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200075
N-(4-piperidin-1-ylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200077
1-(4-chlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217652
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
3,4-difluoro-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095438
N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200025
1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217861
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide (CID 113200045) is N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
The InChIKey is NVYRDSXVVASXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3/c18-12-8-10(1-2-13(12)19)20-17(21)15-11-4-6-22-14(11)7-9-3-5-23-16(9)15/h1-2,7-8H,3-6H2,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide is sourced from PubChem (CID 113200045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).