2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide

C19H14F3NO5 — CID 16572175

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3OC(F)(F)F)ccc12
InChIInChI=1S/C19H14F3NO5/c1-11-8-18(25)27-16-9-12(6-7-13(11)16)26-10-17(24)23-14-4-2-3-5-15(14)28-19(20,21)22/h2-9H,10H2,1H3,(H,23,24)
InChIKeyNDZOHFODMJLQGZ-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.02
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 16572175) has the molecular formula C19H14F3NO5 and a molecular weight of 393.32 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID16572175
Molecular FormulaC19H14F3NO5
Molecular Weight393.32 g/mol
Exact Mass393.08
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3OC(F)(F)F)ccc12
InChIInChI=1S/C19H14F3NO5/c1-11-8-18(25)27-16-9-12(6-7-13(11)16)26-10-17(24)23-14-4-2-3-5-15(14)28-19(20,21)22/h2-9H,10H2,1H3,(H,23,24)
InChIKeyNDZOHFODMJLQGZ-UHFFFAOYSA-N
XLogP4.02
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7935078
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
N-(2-methoxyphenyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 29405460
N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7936147
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-nitrophenyl)acetamide
CID 2925103
2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-N-(2-propoxyphenyl)acetamide
CID 24581655
2-(4-methylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202525
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
2-(4-methyl-2-oxochromen-7-yl)oxy-N-quinolin-8-ylacetamide
CID 1283385
N-[2-(2-fluorophenoxy)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7927599

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide (CID 16572175) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3OC(F)(F)F)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NDZOHFODMJLQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO5/c1-11-8-18(25)27-16-9-12(6-7-13(11)16)26-10-17(24)23-14-4-2-3-5-15(14)28-19(20,21)22/h2-9H,10H2,1H3,(H,23,24).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 393.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 16572175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).