2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide

C24H18FNO6 — CID 2357934

IUPAC2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccc(F)cc4)coc3c2)cc1
InChIInChI=1S/C24H18FNO6/c1-29-17-8-4-16(5-9-17)26-23(27)14-30-19-10-11-20-21(12-19)31-13-22(24(20)28)32-18-6-2-15(25)3-7-18/h2-13H,14H2,1H3,(H,26,27)
InChIKeyPJRPHFGGSDGZCS-UHFFFAOYSA-N
MW435.41 g/mol
LogP4.75
Rot. Bonds7

About 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide

2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide (PubChem CID 2357934) has the molecular formula C24H18FNO6 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
PubChem CID2357934
Molecular FormulaC24H18FNO6
Molecular Weight435.41 g/mol
Exact Mass435.11
IUPAC Name2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccc(F)cc4)coc3c2)cc1
InChIInChI=1S/C24H18FNO6/c1-29-17-8-4-16(5-9-17)26-23(27)14-30-19-10-11-20-21(12-19)31-13-22(24(20)28)32-18-6-2-15(25)3-7-18/h2-13H,14H2,1H3,(H,26,27)
InChIKeyPJRPHFGGSDGZCS-UHFFFAOYSA-N
XLogP4.75
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 9372519
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 9372561
7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 1182864
N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 1192171
N-(4-fluorophenyl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 1191267
methyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1033940
N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
CID 2484172
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400
2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 1189580
methyl 4-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2017265
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide (CID 2357934) is 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccc(F)cc4)coc3c2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide?
The InChIKey is PJRPHFGGSDGZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO6/c1-29-17-8-4-16(5-9-17)26-23(27)14-30-19-10-11-20-21(12-19)31-13-22(24(20)28)32-18-6-2-15(25)3-7-18/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide?
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide has a molecular weight of 435.41 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2357934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).