2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C21H23F3N4O3 — CID 4876283

IUPAC2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCOCC1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H23F3N4O3/c1-27(13-19(30)26-16-7-6-14(22)20(23)21(16)24)12-18(29)25-15-4-2-3-5-17(15)28-8-10-31-11-9-28/h2-7H,8-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyDDROEZCVGLLEMG-UHFFFAOYSA-N
MW436.43 g/mol
LogP2.45
Rot. Bonds7

About 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 4876283) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID4876283
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1N1CCOCC1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H23F3N4O3/c1-27(13-19(30)26-16-7-6-14(22)20(23)21(16)24)12-18(29)25-15-4-2-3-5-17(15)28-8-10-31-11-9-28/h2-7H,8-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyDDROEZCVGLLEMG-UHFFFAOYSA-N
XLogP2.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-Morpholineacetamide, N-phenyl-
CID 201328
Ethyl 4-(2-((4-fluorophenyl)amino)-2-oxoethyl)piperazine-1-carboxylate
CID 931206
N-(3-Amino-phenyl)-2-morpholin-4-yl-acetamide
CID 1073123
N-(4-fluorophenyl)-2-(morpholin-4-yl)acetamide
CID 670650
N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 719590
Ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2441116
1-[2-(2-Morpholinoanilino)-2-oxoethyl]-4-piperidinecarboxamide
CID 2813874
3-(2,6-dimethyl-4-morpholinyl)-N-(2-fluorophenyl)propanamide
CID 2901892
Pentanoic acid {2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-phenyl}-amide
CID 3214668
N-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-phenyl}-2-methyl-butyramide
CID 3228431
N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-2-methoxyacetamide
CID 3754034
N-(4-fluorophenyl)-2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 9467018

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 4876283) is 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is CN(CC(=O)Nc1ccccc1N1CCOCC1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is DDROEZCVGLLEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-27(13-19(30)26-16-7-6-14(22)20(23)21(16)24)12-18(29)25-15-4-2-3-5-17(15)28-8-10-31-11-9-28/h2-7H,8-13H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 436.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 4876283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).