2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C23H21F3N2O5 — CID 1079166

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)ccc12
InChIInChI=1S/C23H21F3N2O5/c1-14-10-22(30)33-20-12-16(3-4-17(14)20)32-13-21(29)27-18-11-15(23(24,25)26)2-5-19(18)28-6-8-31-9-7-28/h2-5,10-12H,6-9,13H2,1H3,(H,27,29)
InChIKeyOCEKXSCAMANJLB-UHFFFAOYSA-N
MW462.42 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 1079166) has the molecular formula C23H21F3N2O5 and a molecular weight of 462.42 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID1079166
Molecular FormulaC23H21F3N2O5
Molecular Weight462.42 g/mol
Exact Mass462.14
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)ccc12
InChIInChI=1S/C23H21F3N2O5/c1-14-10-22(30)33-20-12-16(3-4-17(14)20)32-13-21(29)27-18-11-15(23(24,25)26)2-5-19(18)28-6-8-31-9-7-28/h2-5,10-12H,6-9,13H2,1H3,(H,27,29)
InChIKeyOCEKXSCAMANJLB-UHFFFAOYSA-N
XLogP3.97
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide 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-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7892006
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-(4-ethylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3921183
2-(3-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7551397
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2487812
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117721
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26639783
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 7669566
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6723209

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 1079166) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OCEKXSCAMANJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5/c1-14-10-22(30)33-20-12-16(3-4-17(14)20)32-13-21(29)27-18-11-15(23(24,25)26)2-5-19(18)28-6-8-31-9-7-28/h2-5,10-12H,6-9,13H2,1H3,(H,27,29).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 462.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1079166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).