[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate

C20H14F3NO5 — CID 7785575

IUPAC[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate
SMILESC[C@@H](OC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3NO5/c1-11(17(25)24-14-8-6-13(7-9-14)20(21,22)23)28-18(26)15-10-12-4-2-3-5-16(12)29-19(15)27/h2-11H,1H3,(H,24,25)/t11-/m1/s1
InChIKeyNCQPICGHMJGLBK-LLVKDONJSA-N
MW405.33 g/mol
LogP4.00
Rot. Bonds4

About [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate

[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate (PubChem CID 7785575) has the molecular formula C20H14F3NO5 and a molecular weight of 405.33 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate
PubChem CID7785575
Molecular FormulaC20H14F3NO5
Molecular Weight405.33 g/mol
Exact Mass405.08
IUPAC Name[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate
SMILESC[C@@H](OC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F3NO5/c1-11(17(25)24-14-8-6-13(7-9-14)20(21,22)23)28-18(26)15-10-12-4-2-3-5-16(12)29-19(15)27/h2-11H,1H3,(H,24,25)/t11-/m1/s1
InChIKeyNCQPICGHMJGLBK-LLVKDONJSA-N
XLogP4.00
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-oxochromene-2-carboxylate
CID 2102651
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-fluorobenzoate
CID 7864203
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-oxochromene-3-carboxylate
CID 7785519
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-methoxybenzoate
CID 46790416
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-(trifluoromethyl)benzoate
CID 7860111
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2,4-dichlorobenzoate
CID 7873087
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7284182
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7838301
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7193579
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(2-hydroxyethylamino)benzoate
CID 7602890

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate (CID 7785575) is [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate is C[C@@H](OC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate?
The InChIKey is NCQPICGHMJGLBK-LLVKDONJSA-N. The full InChI is InChI=1S/C20H14F3NO5/c1-11(17(25)24-14-8-6-13(7-9-14)20(21,22)23)28-18(26)15-10-12-4-2-3-5-16(12)29-19(15)27/h2-11H,1H3,(H,24,25)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate?
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate has a molecular weight of 405.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-oxochromene-3-carboxylate is sourced from PubChem (CID 7785575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).