N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide

C22H18FNO4 — CID 4967951

IUPACN-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccc3F)c(C)c12
InChIInChI=1S/C22H18FNO4/c1-11-8-17-20(21-19(11)12(2)10-27-21)13(3)14(22(26)28-17)9-18(25)24-16-7-5-4-6-15(16)23/h4-8,10H,9H2,1-3H3,(H,24,25)
InChIKeyVJCGSPVVAISOIX-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.78
Rot. Bonds3

About N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide

N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (PubChem CID 4967951) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
PubChem CID4967951
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC NameN-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
SMILESCc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccc3F)c(C)c12
InChIInChI=1S/C22H18FNO4/c1-11-8-17-20(21-19(11)12(2)10-27-21)13(3)14(22(26)28-17)9-18(25)24-16-7-5-4-6-15(16)23/h4-8,10H,9H2,1-3H3,(H,24,25)
InChIKeyVJCGSPVVAISOIX-UHFFFAOYSA-N
XLogP4.78
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4868793
N-(3-phenylpropyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4869284
N-[(2R)-2-hydroxy-2-phenylethyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 7096783
N-[(2R)-2-hydroxy-3-methoxypropyl]-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 40854926
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4869895
N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236971
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]benzamide
CID 4869567
2-(2,5-dimethyl-1H-pyrrol-3-yl)-N-(2-fluorophenyl)acetamide
CID 110773542
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565
N-(2-fluorophenyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 41484310
2-(4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 41062251
N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18859346

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide (CID 4967951) is N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccc3F)c(C)c12.
What is the InChIKey of N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
The InChIKey is VJCGSPVVAISOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4/c1-11-8-17-20(21-19(11)12(2)10-27-21)13(3)14(22(26)28-17)9-18(25)24-16-7-5-4-6-15(16)23/h4-8,10H,9H2,1-3H3,(H,24,25).
What are the key properties of N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide?
N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide has a molecular weight of 379.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide is sourced from PubChem (CID 4967951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).