3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide

C14H14ClF3N2O2 — CID 19906222

IUPAC3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide
SMILESC=CCNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H14ClF3N2O2/c1-2-5-19-13(21)20-7-10(8-20)22-12-4-3-9(6-11(12)15)14(16,17)18/h2-4,6,10H,1,5,7-8H2,(H,19,21)
InChIKeyUXKAQBSGZPWXCB-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.32
Rot. Bonds4

About 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide

3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide (PubChem CID 19906222) has the molecular formula C14H14ClF3N2O2 and a molecular weight of 334.73 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide
PubChem CID19906222
Molecular FormulaC14H14ClF3N2O2
Molecular Weight334.73 g/mol
Exact Mass334.07
IUPAC Name3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide
SMILESC=CCNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H14ClF3N2O2/c1-2-5-19-13(21)20-7-10(8-20)22-12-4-3-9(6-11(12)15)14(16,17)18/h2-4,6,10H,1,5,7-8H2,(H,19,21)
InChIKeyUXKAQBSGZPWXCB-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide?
The IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide (CID 19906222) is 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide is C=CCNC(=O)N1CC(Oc2ccc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide?
The InChIKey is UXKAQBSGZPWXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2/c1-2-5-19-13(21)20-7-10(8-20)22-12-4-3-9(6-11(12)15)14(16,17)18/h2-4,6,10H,1,5,7-8H2,(H,19,21).
What are the key properties of 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide?
3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide has a molecular weight of 334.73 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(trifluoromethyl)phenoxy]-N-prop-2-enylazetidine-1-carboxamide is sourced from PubChem (CID 19906222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).