N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide

C19H14F3NO4 — CID 18165435

IUPACN-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide
SMILESCN(C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C19H14F3NO4/c1-23(12-5-3-2-4-6-12)17(24)11-26-13-7-8-14-15(19(20,21)22)10-18(25)27-16(14)9-13/h2-10H,11H2,1H3
InChIKeyWHUMFOQVFKILEH-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.85
Rot. Bonds4

About N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide

N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide (PubChem CID 18165435) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide
PubChem CID18165435
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC NameN-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide
SMILESCN(C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccccc1
InChIInChI=1S/C19H14F3NO4/c1-23(12-5-3-2-4-6-12)17(24)11-26-13-7-8-14-15(19(20,21)22)10-18(25)27-16(14)9-13/h2-10H,11H2,1H3
InChIKeyWHUMFOQVFKILEH-UHFFFAOYSA-N
XLogP3.85
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 29433424
N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 55321270
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-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-(2,6-diethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405432
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
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 24606264

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide?
The IUPAC name of N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide (CID 18165435) is N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide is CN(C(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1ccccc1.
What is the InChIKey of N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide?
The InChIKey is WHUMFOQVFKILEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-23(12-5-3-2-4-6-12)17(24)11-26-13-7-8-14-15(19(20,21)22)10-18(25)27-16(14)9-13/h2-10H,11H2,1H3.
What are the key properties of N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide?
N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide has a molecular weight of 377.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 18165435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).