N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide

C14H15F3N2O3 — CID 47081595

IUPACN-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NC(=O)C1CCOC1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)8-18-13(21)10-3-1-2-4-11(10)19-12(20)9-5-6-22-7-9/h1-4,9H,5-8H2,(H,18,21)(H,19,20)
InChIKeyYHKCLECMAXHFQB-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.95
Rot. Bonds4

About N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide

N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide (PubChem CID 47081595) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide
PubChem CID47081595
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC NameN-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NC(=O)C1CCOC1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)8-18-13(21)10-3-1-2-4-11(10)19-12(20)9-5-6-22-7-9/h1-4,9H,5-8H2,(H,18,21)(H,19,20)
InChIKeyYHKCLECMAXHFQB-UHFFFAOYSA-N
XLogP1.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide (CID 47081595) is N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide is O=C(NCC(F)(F)F)c1ccccc1NC(=O)C1CCOC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide?
The InChIKey is YHKCLECMAXHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)8-18-13(21)10-3-1-2-4-11(10)19-12(20)9-5-6-22-7-9/h1-4,9H,5-8H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide?
N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 47081595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).