N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide

C20H15ClF3NO4 — CID 24606264

IUPACN-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESCC(NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClF3NO4/c1-11(12-3-2-4-13(21)7-12)25-18(26)10-28-14-5-6-15-16(20(22,23)24)9-19(27)29-17(15)8-14/h2-9,11H,10H2,1H3,(H,25,26)
InChIKeyWAIIKJAZJOERKK-UHFFFAOYSA-N
MW425.79 g/mol
LogP4.72
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide

N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide (PubChem CID 24606264) has the molecular formula C20H15ClF3NO4 and a molecular weight of 425.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
PubChem CID24606264
Molecular FormulaC20H15ClF3NO4
Molecular Weight425.79 g/mol
Exact Mass425.06
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESCC(NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClF3NO4/c1-11(12-3-2-4-13(21)7-12)25-18(26)10-28-14-5-6-15-16(20(22,23)24)9-19(27)29-17(15)8-14/h2-9,11H,10H2,1H3,(H,25,26)
InChIKeyWAIIKJAZJOERKK-UHFFFAOYSA-N
XLogP4.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-propan-2-ylacetamide
CID 29405533
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405387
N-(2,6-diethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405432
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42900895
N-(3-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405385
N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 55321270
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 98751984
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 7699880
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
N-[1-(3-chlorophenyl)ethyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 18202507

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide (CID 24606264) is N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide is CC(NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The InChIKey is WAIIKJAZJOERKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO4/c1-11(12-3-2-4-13(21)7-12)25-18(26)10-28-14-5-6-15-16(20(22,23)24)9-19(27)29-17(15)8-14/h2-9,11H,10H2,1H3,(H,25,26).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide has a molecular weight of 425.79 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 24606264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).