2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C22H20F3NO5 — CID 42378552

IUPAC2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCc3ccccc3OC(F)(F)F)ccc12
InChIInChI=1S/C22H20F3NO5/c1-2-5-14-10-21(28)30-19-11-16(8-9-17(14)19)29-13-20(27)26-12-15-6-3-4-7-18(15)31-22(23,24)25/h3-4,6-11H,2,5,12-13H2,1H3,(H,26,27)
InChIKeyPQEPIGFRNDULPD-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.34
Rot. Bonds8

About 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 42378552) has the molecular formula C22H20F3NO5 and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID42378552
Molecular FormulaC22H20F3NO5
Molecular Weight435.40 g/mol
Exact Mass435.13
IUPAC Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCc3ccccc3OC(F)(F)F)ccc12
InChIInChI=1S/C22H20F3NO5/c1-2-5-14-10-21(28)30-19-11-16(8-9-17(14)19)29-13-20(27)26-12-15-6-3-4-7-18(15)31-22(23,24)25/h3-4,6-11H,2,5,12-13H2,1H3,(H,26,27)
InChIKeyPQEPIGFRNDULPD-UHFFFAOYSA-N
XLogP4.34
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.34
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

2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4906159
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572175
N-(2-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353959
3-methyl-2-[[2-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]acetyl]amino]butanoic acid
CID 3716329
N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7750798
N-(3-methylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 9353958
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
CID 24581655

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 42378552) is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CCCc1cc(=O)oc2cc(OCC(=O)NCc3ccccc3OC(F)(F)F)ccc12.
What is the InChIKey of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is PQEPIGFRNDULPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO5/c1-2-5-14-10-21(28)30-19-11-16(8-9-17(14)19)29-13-20(27)26-12-15-6-3-4-7-18(15)31-22(23,24)25/h3-4,6-11H,2,5,12-13H2,1H3,(H,26,27).
What are the key properties of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 435.40 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 42378552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).