N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

C14H13F3N2O2 — CID 15053421

IUPACN-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESC#CCNC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H13F3N2O2/c1-2-6-18-13(20)19-8-12(9-19)21-11-5-3-4-10(7-11)14(15,16)17/h1,3-5,7,12H,6,8-9H2,(H,18,20)
InChIKeyUYKNKYCPRSVIIG-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.11
Rot. Bonds3

About N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (PubChem CID 15053421) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
PubChem CID15053421
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC NameN-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide
SMILESC#CCNC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H13F3N2O2/c1-2-6-18-13(20)19-8-12(9-19)21-11-5-3-4-10(7-11)14(15,16)17/h1,3-5,7,12H,6,8-9H2,(H,18,20)
InChIKeyUYKNKYCPRSVIIG-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The IUPAC name of N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide (CID 15053421) is N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The canonical SMILES for N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is C#CCNC(=O)N1CC(Oc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
The InChIKey is UYKNKYCPRSVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-2-6-18-13(20)19-8-12(9-19)21-11-5-3-4-10(7-11)14(15,16)17/h1,3-5,7,12H,6,8-9H2,(H,18,20).
What are the key properties of N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide?
N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide has a molecular weight of 298.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide is sourced from PubChem (CID 15053421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).