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

C27H22FNO4 — CID 92669200

IUPAC(7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(c2ccc(F)cc2)O4)cc1
InChIInChI=1S/C27H22FNO4/c1-15-4-10-19(11-5-15)29-26(31)25-16(2)23-21(32-25)12-13-22-24(23)20(30)14-27(3,33-22)17-6-8-18(28)9-7-17/h4-13H,14H2,1-3H3,(H,29,31)/t27-/m1/s1
InChIKeySWFCTCQMRRKXCF-HHHXNRCGSA-N
MW443.47 g/mol
LogP6.32
Rot. Bonds3

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

(7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 92669200) has the molecular formula C27H22FNO4 and a molecular weight of 443.47 g/mol. Its IUPAC name is (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name(7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID92669200
Molecular FormulaC27H22FNO4
Molecular Weight443.47 g/mol
Exact Mass443.15
IUPAC Name(7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(c2ccc(F)cc2)O4)cc1
InChIInChI=1S/C27H22FNO4/c1-15-4-10-19(11-5-15)29-26(31)25-16(2)23-21(32-25)12-13-22-24(23)20(30)14-27(3,33-22)17-6-8-18(28)9-7-17/h4-13H,14H2,1-3H3,(H,29,31)/t27-/m1/s1
InChIKeySWFCTCQMRRKXCF-HHHXNRCGSA-N
XLogP6.32
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (CID 92669200) is (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is Cc1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(c2ccc(F)cc2)O4)cc1.
What is the InChIKey of (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is SWFCTCQMRRKXCF-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H22FNO4/c1-15-4-10-19(11-5-15)29-26(31)25-16(2)23-21(32-25)12-13-22-24(23)20(30)14-27(3,33-22)17-6-8-18(28)9-7-17/h4-13H,14H2,1-3H3,(H,29,31)/t27-/m1/s1.
What are the key properties of (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
(7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 92669200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).