N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide

C14H13F3N2O2 — CID 79755355

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2/c1-8-11(4-5-21-8)13(20)19-10-3-2-9(7-18)12(6-10)14(15,16)17/h2-3,6,8,11H,4-5H2,1H3,(H,19,20)
InChIKeyBLLBAYVUEZLRBM-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.94
Rot. Bonds2

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide (PubChem CID 79755355) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide
PubChem CID79755355
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H13F3N2O2/c1-8-11(4-5-21-8)13(20)19-10-3-2-9(7-18)12(6-10)14(15,16)17/h2-3,6,8,11H,4-5H2,1H3,(H,19,20)
InChIKeyBLLBAYVUEZLRBM-UHFFFAOYSA-N
XLogP2.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759025
N-(4-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 79760045
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 169069663
2-fluoro-4-[(2-methyloxolane-3-carbonyl)amino]benzenesulfonyl chloride
CID 79759048
N-[4-cyano-3-(trifluoromethyl)phenyl]-6-fluoro-3,4-dihydro-2H-chromene-2-carboxamide
CID 11417179
3-[4-cyano-3-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 65484763
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 65483573
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 65483769
1-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-hydroxycyclohexyl)urea
CID 111475536

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide (CID 79755355) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide?
The InChIKey is BLLBAYVUEZLRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-8-11(4-5-21-8)13(20)19-10-3-2-9(7-18)12(6-10)14(15,16)17/h2-3,6,8,11H,4-5H2,1H3,(H,19,20).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide has a molecular weight of 298.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79755355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).