2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide

C14H18F3N3O2 — CID 40760123

IUPAC2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O2/c1-9(2)20(7-12(18)21)8-13(22)19-11-6-4-3-5-10(11)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyGLXIJQJOUDRRAK-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.84
Rot. Bonds6

About 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide

2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide (PubChem CID 40760123) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
PubChem CID40760123
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O2/c1-9(2)20(7-12(18)21)8-13(22)19-11-6-4-3-5-10(11)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H2,18,21)(H,19,22)
InChIKeyGLXIJQJOUDRRAK-UHFFFAOYSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[2-methylpropyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113148570
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
2-[[2-(2-carbamoylanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838809
2-(N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3296001
2-[methyl-(4-methylcyclohexyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51226770
methyl N-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetyl]carbamate
CID 9286444
2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78889854
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 112798512
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 40760037
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide (CID 40760123) is 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide?
The InChIKey is GLXIJQJOUDRRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-9(2)20(7-12(18)21)8-13(22)19-11-6-4-3-5-10(11)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide?
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide has a molecular weight of 317.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 40760123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).