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

C20H18FNO5 — CID 9372561

IUPAC2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1
InChIInChI=1S/C20H18FNO5/c1-2-9-22-19(23)12-25-15-7-8-16-17(10-15)26-11-18(20(16)24)27-14-5-3-13(21)4-6-14/h3-8,10-11H,2,9,12H2,1H3,(H,22,23)
InChIKeyOZSQSGSDLSFBDA-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.63
Rot. Bonds7

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

2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide (PubChem CID 9372561) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
PubChem CID9372561
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1
InChIInChI=1S/C20H18FNO5/c1-2-9-22-19(23)12-25-15-7-8-16-17(10-15)26-11-18(20(16)24)27-14-5-3-13(21)4-6-14/h3-8,10-11H,2,9,12H2,1H3,(H,22,23)
InChIKeyOZSQSGSDLSFBDA-UHFFFAOYSA-N
XLogP3.63
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(4-methoxyphenyl)acetamide
CID 2357934
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
CID 7139399
N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
CID 2484172
7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 1182864
methyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1033940
N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 1192171
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 7613115
N-benzyl-2-[4-oxo-3-(2,3,5-trimethylphenoxy)chromen-7-yl]oxyacetamide
CID 1193132

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide (CID 9372561) is 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide is CCCNC(=O)COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide?
The InChIKey is OZSQSGSDLSFBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-2-9-22-19(23)12-25-15-7-8-16-17(10-15)26-11-18(20(16)24)27-14-5-3-13(21)4-6-14/h3-8,10-11H,2,9,12H2,1H3,(H,22,23).
What are the key properties of 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide?
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide has a molecular weight of 371.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide is sourced from PubChem (CID 9372561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).