2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C19H16F3N3O4 — CID 55933517

IUPAC2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O4/c20-19(21,22)14-2-1-7-24-18(14)25-9-8-23-16(26)11-28-13-5-3-12-4-6-17(27)29-15(12)10-13/h1-7,10H,8-9,11H2,(H,23,26)(H,24,25)
InChIKeyVEXISAXXPMFVOT-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.81
Rot. Bonds7

About 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 55933517) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID55933517
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O4/c20-19(21,22)14-2-1-7-24-18(14)25-9-8-23-16(26)11-28-13-5-3-12-4-6-17(27)29-15(12)10-13/h1-7,10H,8-9,11H2,(H,23,26)(H,24,25)
InChIKeyVEXISAXXPMFVOT-UHFFFAOYSA-N
XLogP2.81
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 87036570
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
N-[4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26062108
2-(2-oxochromen-7-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8882835
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 42967063
N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51221936
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
2-(6-bromonaphthalen-2-yl)oxy-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]acetamide
CID 55840055
2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 36752372

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 55933517) is 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(COc1ccc2ccc(=O)oc2c1)NCCNc1ncccc1C(F)(F)F.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is VEXISAXXPMFVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c20-19(21,22)14-2-1-7-24-18(14)25-9-8-23-16(26)11-28-13-5-3-12-4-6-17(27)29-15(12)10-13/h1-7,10H,8-9,11H2,(H,23,26)(H,24,25).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 407.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 55933517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).