N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide

C21H20FNO5 — CID 9372519

IUPACN-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESCC(C)(C)NC(=O)COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1
InChIInChI=1S/C21H20FNO5/c1-21(2,3)23-19(24)12-26-15-8-9-16-17(10-15)27-11-18(20(16)25)28-14-6-4-13(22)5-7-14/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyXFCZGHJUKYMBLE-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.02
Rot. Bonds5

About N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide

N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 9372519) has the molecular formula C21H20FNO5 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
PubChem CID9372519
Molecular FormulaC21H20FNO5
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide
SMILESCC(C)(C)NC(=O)COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1
InChIInChI=1S/C21H20FNO5/c1-21(2,3)23-19(24)12-26-15-8-9-16-17(10-15)27-11-18(20(16)25)28-14-6-4-13(22)5-7-14/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyXFCZGHJUKYMBLE-UHFFFAOYSA-N
XLogP4.02
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-propylacetamide
CID 9372561
2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 2357934
methyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 1033940
7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 1182864
methyl 4-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2017265
N-cyclohexyl-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxyacetamide
CID 1192171
2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxyacetic acid
CID 7745073
N-(2-methylphenyl)-2-[4-oxo-3-(4-propylphenoxy)chromen-7-yl]oxyacetamide
CID 2484172
2-[[2-[3-(2-ethoxyphenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetate
CID 7139399
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
2-[[2-[3-(2-bromophenoxy)-4-oxochromen-7-yl]oxyacetyl]amino]acetic acid
CID 7139404
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3,3-dimethylbutanoate
CID 2791400

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide (CID 9372519) is N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide is CC(C)(C)NC(=O)COc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1.
What is the InChIKey of N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is XFCZGHJUKYMBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO5/c1-21(2,3)23-19(24)12-26-15-8-9-16-17(10-15)27-11-18(20(16)25)28-14-6-4-13(22)5-7-14/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide?
N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 385.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(4-fluorophenoxy)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 9372519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).