2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide

C21H18F3NO5 — CID 24581655

IUPAC2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C21H18F3NO5/c1-2-9-28-17-6-4-3-5-16(17)25-19(26)12-29-13-7-8-14-15(21(22,23)24)11-20(27)30-18(14)10-13/h3-8,10-11H,2,9,12H2,1H3,(H,25,26)
InChIKeyPSMXQIVRBHXRBC-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.62
Rot. Bonds7

About 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide

2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide (PubChem CID 24581655) has the molecular formula C21H18F3NO5 and a molecular weight of 421.37 g/mol. Its IUPAC name is 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
PubChem CID24581655
Molecular FormulaC21H18F3NO5
Molecular Weight421.37 g/mol
Exact Mass421.11
IUPAC Name2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C21H18F3NO5/c1-2-9-28-17-6-4-3-5-16(17)25-19(26)12-29-13-7-8-14-15(21(22,23)24)11-20(27)30-18(14)10-13/h3-8,10-11H,2,9,12H2,1H3,(H,25,26)
InChIKeyPSMXQIVRBHXRBC-UHFFFAOYSA-N
XLogP4.62
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
N-(2,6-diethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405432
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405387
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572175
N-(3-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405385
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
CID 24581989
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-propan-2-ylacetamide
CID 29405533
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide (CID 24581655) is 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1.
What is the InChIKey of 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide?
The InChIKey is PSMXQIVRBHXRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO5/c1-2-9-28-17-6-4-3-5-16(17)25-19(26)12-29-13-7-8-14-15(21(22,23)24)11-20(27)30-18(14)10-13/h3-8,10-11H,2,9,12H2,1H3,(H,25,26).
What are the key properties of 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide?
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide has a molecular weight of 421.37 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 24581655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).