N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide

C19H14F3NO4 — CID 18165439

IUPACN-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESO=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)NCc1ccccc1
InChIInChI=1S/C19H14F3NO4/c20-19(21,22)15-9-18(25)27-16-8-13(6-7-14(15)16)26-11-17(24)23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,23,24)
InChIKeyQGHREFRAAJFMHI-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.51
Rot. Bonds5

About N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide

N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide (PubChem CID 18165439) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
PubChem CID18165439
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC NameN-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESO=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)NCc1ccccc1
InChIInChI=1S/C19H14F3NO4/c20-19(21,22)15-9-18(25)27-16-8-13(6-7-14(15)16)26-11-17(24)23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,23,24)
InChIKeyQGHREFRAAJFMHI-UHFFFAOYSA-N
XLogP3.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.51
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-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
N-(2-methylbutan-2-yl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 36555062
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405387
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide
CID 15712996
N-(2,6-diethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405432
N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide
CID 18165435
N-(3-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405385
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
CID 24581655
N-benzyl-2-[3-(4-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 1193495
N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 55321270

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The IUPAC name of N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide (CID 18165439) is N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The canonical SMILES for N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide is O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The InChIKey is QGHREFRAAJFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c20-19(21,22)15-9-18(25)27-16-8-13(6-7-14(15)16)26-11-17(24)23-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,23,24).
What are the key properties of N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide has a molecular weight of 377.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 18165439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).