2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide

C21H23F4N3O2 — CID 112798512

IUPAC2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H23F4N3O2/c1-3-28(14(2)20(30)26-12-15-8-10-16(22)11-9-15)13-19(29)27-18-7-5-4-6-17(18)21(23,24)25/h4-11,14H,3,12-13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyZXCVXGXRQJIQIC-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.81
Rot. Bonds8

About 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide

2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 112798512) has the molecular formula C21H23F4N3O2 and a molecular weight of 425.43 g/mol. Its IUPAC name is 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID112798512
Molecular FormulaC21H23F4N3O2
Molecular Weight425.43 g/mol
Exact Mass425.17
IUPAC Name2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H23F4N3O2/c1-3-28(14(2)20(30)26-12-15-8-10-16(22)11-9-15)13-19(29)27-18-7-5-4-6-17(18)21(23,24)25/h4-11,14H,3,12-13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyZXCVXGXRQJIQIC-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide 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

N-(benzylcarbamoyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112798459
N-(3-chloro-2-methylphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 112798504
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
N-(4-ethoxyphenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 112798501
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769821
N-[(4-fluorophenyl)methyl]-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108962615
2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-N-(4-ethylphenyl)propanamide
CID 112769362
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123
N-(2,5-dichlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769347
N-(3-chlorophenyl)-2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]propanamide
CID 112769359
2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26514549
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide (CID 112798512) is 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is ZXCVXGXRQJIQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N3O2/c1-3-28(14(2)20(30)26-12-15-8-10-16(22)11-9-15)13-19(29)27-18-7-5-4-6-17(18)21(23,24)25/h4-11,14H,3,12-13H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide?
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 425.43 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 112798512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).