N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide

C28H24F3NO5 — CID 2351771

IUPACN-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESCCOc1ccccc1NC(=O)COc1cc2oc(C(F)(F)F)c(-c3ccccc3)c(=O)c2cc1CC
InChIInChI=1S/C28H24F3NO5/c1-3-17-14-19-23(37-27(28(29,30)31)25(26(19)34)18-10-6-5-7-11-18)15-22(17)36-16-24(33)32-20-12-8-9-13-21(20)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,32,33)
InChIKeyYEDCPSSOGTZMOA-UHFFFAOYSA-N
MW511.50 g/mol
LogP6.46
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide

N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide (PubChem CID 2351771) has the molecular formula C28H24F3NO5 and a molecular weight of 511.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
PubChem CID2351771
Molecular FormulaC28H24F3NO5
Molecular Weight511.50 g/mol
Exact Mass511.16
IUPAC NameN-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESCCOc1ccccc1NC(=O)COc1cc2oc(C(F)(F)F)c(-c3ccccc3)c(=O)c2cc1CC
InChIInChI=1S/C28H24F3NO5/c1-3-17-14-19-23(37-27(28(29,30)31)25(26(19)34)18-10-6-5-7-11-18)15-22(17)36-16-24(33)32-20-12-8-9-13-21(20)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,32,33)
InChIKeyYEDCPSSOGTZMOA-UHFFFAOYSA-N
XLogP6.46
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.50
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
CID 24581989
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
2-[6-ethyl-3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetic acid
CID 1322096
N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
N-[2-(difluoromethoxy)phenyl]-2-(2-ethoxyphenoxy)acetamide
CID 7941491
3-chloro-4-[2-(2-ethoxyanilino)-2-oxoethoxy]benzoic acid
CID 45418602
7-ethoxy-6-ethyl-4-phenylchromen-2-one
CID 2888002
3-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 86714338
N-(2-ethoxyphenyl)-2-(6-methyl-2-phenylquinolin-4-yl)oxyacetamide
CID 46298833
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
CID 24581655

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide (CID 2351771) is N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide is CCOc1ccccc1NC(=O)COc1cc2oc(C(F)(F)F)c(-c3ccccc3)c(=O)c2cc1CC.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The InChIKey is YEDCPSSOGTZMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3NO5/c1-3-17-14-19-23(37-27(28(29,30)31)25(26(19)34)18-10-6-5-7-11-18)15-22(17)36-16-24(33)32-20-12-8-9-13-21(20)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,32,33).
What are the key properties of N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide?
N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide has a molecular weight of 511.50 g/mol, XLogP of 6.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[6-ethyl-4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 2351771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).