N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide

C20H16F3NO4 — CID 29405387

IUPACN-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESCc1cccc(C)c1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C20H16F3NO4/c1-11-4-3-5-12(2)19(11)24-17(25)10-27-13-6-7-14-15(20(21,22)23)9-18(26)28-16(14)8-13/h3-9H,10H2,1-2H3,(H,24,25)
InChIKeySODKGKWDWIYQAL-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.45
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide

N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide (PubChem CID 29405387) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
PubChem CID29405387
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC NameN-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
SMILESCc1cccc(C)c1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1
InChIInChI=1S/C20H16F3NO4/c1-11-4-3-5-12(2)19(11)24-17(25)10-27-13-6-7-14-15(20(21,22)23)9-18(26)28-16(14)8-13/h3-9H,10H2,1-2H3,(H,24,25)
InChIKeySODKGKWDWIYQAL-UHFFFAOYSA-N
XLogP4.45
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.45
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

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
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
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-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
N-(2,6-dimethylphenyl)-2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1297755
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
CID 24581655
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-[1-(3-chlorophenyl)ethyl]-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 24606264
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-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide (CID 29405387) is N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide is Cc1cccc(C)c1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
The InChIKey is SODKGKWDWIYQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4/c1-11-4-3-5-12(2)19(11)24-17(25)10-27-13-6-7-14-15(20(21,22)23)9-18(26)28-16(14)8-13/h3-9H,10H2,1-2H3,(H,24,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide?
N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide has a molecular weight of 391.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide is sourced from PubChem (CID 29405387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).