2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide

C21H19ClFNO4 — CID 7613115

IUPAC2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1
InChIInChI=1S/C21H19ClFNO4/c1-3-9-24-18(25)11-27-13-7-8-14-17(10-13)28-12(2)19(21(14)26)20-15(22)5-4-6-16(20)23/h4-8,10H,3,9,11H2,1-2H3,(H,24,25)
InChIKeyIJXBFXLVBVHECM-UHFFFAOYSA-N
MW403.84 g/mol
LogP4.47
Rot. Bonds6

About 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide

2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide (PubChem CID 7613115) has the molecular formula C21H19ClFNO4 and a molecular weight of 403.84 g/mol. Its IUPAC name is 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide
PubChem CID7613115
Molecular FormulaC21H19ClFNO4
Molecular Weight403.84 g/mol
Exact Mass403.10
IUPAC Name2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1
InChIInChI=1S/C21H19ClFNO4/c1-3-9-24-18(25)11-27-13-7-8-14-17(10-13)28-12(2)19(21(14)26)20-15(22)5-4-6-16(20)23/h4-8,10H,3,9,11H2,1-2H3,(H,24,25)
InChIKeyIJXBFXLVBVHECM-UHFFFAOYSA-N
XLogP4.47
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2108311
[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl] 2,6-difluorobenzoate
CID 16546836
3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one
CID 2387610
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 9372561
2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-[(2S)-2-hydroxy-3-methoxypropyl]acetamide
CID 41118398
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
2-[3-(4-fluorophenoxy)-2-methyl-4-oxochromen-7-yl]oxy-N-(2-fluorophenyl)acetamide
CID 2405473
methyl 4-[[3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxochromen-7-yl]oxymethyl]benzoate
CID 2391271
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
CID 24581989
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide (CID 7613115) is 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide is CCCNC(=O)COc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1.
What is the InChIKey of 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide?
The InChIKey is IJXBFXLVBVHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO4/c1-3-9-24-18(25)11-27-13-7-8-14-17(10-13)28-12(2)19(21(14)26)20-15(22)5-4-6-16(20)23/h4-8,10H,3,9,11H2,1-2H3,(H,24,25).
What are the key properties of 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide?
2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide has a molecular weight of 403.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-propylacetamide is sourced from PubChem (CID 7613115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).