N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide

C16H19F3N2O3 — CID 113061366

IUPACN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-11(22)21(9-8-20-15(23)14-7-4-10-24-14)13-6-3-2-5-12(13)16(17,18)19/h2-3,5-6,14H,4,7-10H2,1H3,(H,20,23)
InChIKeyISZSOSHUOZRZFZ-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.35
Rot. Bonds5

About N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide

N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide (PubChem CID 113061366) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
PubChem CID113061366
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c1-11(22)21(9-8-20-15(23)14-7-4-10-24-14)13-6-3-2-5-12(13)16(17,18)19/h2-3,5-6,14H,4,7-10H2,1H3,(H,20,23)
InChIKeyISZSOSHUOZRZFZ-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059012
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-(N-acetyl-2,3-dimethylanilino)ethyl]oxolane-2-carboxamide
CID 113058185
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]oxolane-2-carboxamide
CID 113059887
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
CID 113061372
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055726
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
CID 113061378
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide (CID 113061366) is N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide is CC(=O)N(CCNC(=O)C1CCCO1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide?
The InChIKey is ISZSOSHUOZRZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-11(22)21(9-8-20-15(23)14-7-4-10-24-14)13-6-3-2-5-12(13)16(17,18)19/h2-3,5-6,14H,4,7-10H2,1H3,(H,20,23).
What are the key properties of N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide?
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113061366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).