N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C21H20F3N3O4 — CID 16561398

IUPACN-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C21H20F3N3O4/c1-2-26(13-18(28)25-15-8-4-3-7-14(15)21(22,23)24)19(29)11-12-27-16-9-5-6-10-17(16)31-20(27)30/h3-10H,2,11-13H2,1H3,(H,25,28)
InChIKeyNAOYVAGFQCNDQV-UHFFFAOYSA-N
MW435.40 g/mol
LogP3.49
Rot. Bonds7

About N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 16561398) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID16561398
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC NameN-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C21H20F3N3O4/c1-2-26(13-18(28)25-15-8-4-3-7-14(15)21(22,23)24)19(29)11-12-27-16-9-5-6-10-17(16)31-20(27)30/h3-10H,2,11-13H2,1H3,(H,25,28)
InChIKeyNAOYVAGFQCNDQV-UHFFFAOYSA-N
XLogP3.49
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]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-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596462
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
N-ethyl-4-(methylamino)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 119682068
N-ethyl-3-(4-fluorophenyl)sulfanyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24982335
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 26357064
3-(4-ethoxyphenoxy)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 24983106
N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2-(trifluoromethyl)benzamide
CID 26356947
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-ethyl-1-methyl-2-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55755141
N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 51103434
N-ethyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596466
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 55512532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 16561398) is N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is NAOYVAGFQCNDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-2-26(13-18(28)25-15-8-4-3-7-14(15)21(22,23)24)19(29)11-12-27-16-9-5-6-10-17(16)31-20(27)30/h3-10H,2,11-13H2,1H3,(H,25,28).
What are the key properties of N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 435.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 16561398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).