2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide

C23H20FNO4 — CID 4900801

IUPAC2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide
SMILESCc1c(CC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
InChIInChI=1S/C23H20FNO4/c1-12(2)25-22(26)9-17-13(3)16-8-18-19(14-4-6-15(24)7-5-14)11-28-20(18)10-21(16)29-23(17)27/h4-8,10-12H,9H2,1-3H3,(H,25,26)
InChIKeyLOUQTSJPNWOCHJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.72
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide

2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide (PubChem CID 4900801) has the molecular formula C23H20FNO4 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide
PubChem CID4900801
Molecular FormulaC23H20FNO4
Molecular Weight393.41 g/mol
Exact Mass393.14
IUPAC Name2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide
SMILESCc1c(CC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
InChIInChI=1S/C23H20FNO4/c1-12(2)25-22(26)9-17-13(3)16-8-18-19(14-4-6-15(24)7-5-14)11-28-20(18)10-21(16)29-23(17)27/h4-8,10-12H,9H2,1-3H3,(H,25,26)
InChIKeyLOUQTSJPNWOCHJ-UHFFFAOYSA-N
XLogP4.72
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.72
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

(2R)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-2-phenylacetic acid
CID 6352026
2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(3-hydroxypropyl)acetamide
CID 4973000
4-methyl-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
CID 3362840
2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(3-hydroxypropyl)acetamide
CID 4870282
5-methyl-3-(4-methylphenyl)-6-(2-methylpropyl)furo[3,2-g]chromen-7-one
CID 5182860
2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(2-methoxyethyl)acetamide
CID 4974497
2-[[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 3751099
N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4967700
N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4869285
2-[[3-benzylsulfanyl-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]propanoyl]amino]acetic acid
CID 73400133
3-methyl-2-[3-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
CID 3828683
2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N'-(4-methoxyphenyl)sulfonylacetohydrazide
CID 163360040

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide (CID 4900801) is 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide is Cc1c(CC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide?
The InChIKey is LOUQTSJPNWOCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO4/c1-12(2)25-22(26)9-17-13(3)16-8-18-19(14-4-6-15(24)7-5-14)11-28-20(18)10-21(16)29-23(17)27/h4-8,10-12H,9H2,1-3H3,(H,25,26).
What are the key properties of 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide?
2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide has a molecular weight of 393.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 4900801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).