N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

C28H24FNO4 — CID 23601750

IUPACN-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(c1ccc(F)cc1)O3
InChIInChI=1S/C28H24FNO4/c1-15-6-5-7-16(2)25(15)30-27(32)26-17(3)23-21(33-26)12-13-22-24(23)20(31)14-28(4,34-22)18-8-10-19(29)11-9-18/h5-13H,14H2,1-4H3,(H,30,32)
InChIKeyGHDKHEURAZQRTJ-UHFFFAOYSA-N
MW457.50 g/mol
LogP6.63
Rot. Bonds3

About N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 23601750) has the molecular formula C28H24FNO4 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID23601750
Molecular FormulaC28H24FNO4
Molecular Weight457.50 g/mol
Exact Mass457.17
IUPAC NameN-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(c1ccc(F)cc1)O3
InChIInChI=1S/C28H24FNO4/c1-15-6-5-7-16(2)25(15)30-27(32)26-17(3)23-21(33-26)12-13-22-24(23)20(31)14-28(4,34-22)18-8-10-19(29)11-9-18/h5-13H,14H2,1-4H3,(H,30,32)
InChIKeyGHDKHEURAZQRTJ-UHFFFAOYSA-N
XLogP6.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (CID 23601750) is N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is Cc1cccc(C)c1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(c1ccc(F)cc1)O3.
What is the InChIKey of N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is GHDKHEURAZQRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO4/c1-15-6-5-7-16(2)25(15)30-27(32)26-17(3)23-21(33-26)12-13-22-24(23)20(31)14-28(4,34-22)18-8-10-19(29)11-9-18/h5-13H,14H2,1-4H3,(H,30,32).
What are the key properties of N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 23601750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).