3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide

C13H15ClN2O2 — CID 2802382

IUPAC3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide
SMILESC=CCNC(=O)N1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H15ClN2O2/c1-2-7-15-13(17)16-8-12(9-16)18-11-5-3-10(14)4-6-11/h2-6,12H,1,7-9H2,(H,15,17)
InChIKeyPCAWDBXDEJVICI-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.30
Rot. Bonds4

About 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide

3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide (PubChem CID 2802382) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide
PubChem CID2802382
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide
SMILESC=CCNC(=O)N1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H15ClN2O2/c1-2-7-15-13(17)16-8-12(9-16)18-11-5-3-10(14)4-6-11/h2-6,12H,1,7-9H2,(H,15,17)
InChIKeyPCAWDBXDEJVICI-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.30
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-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide (CID 2802382) is 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide is C=CCNC(=O)N1CC(Oc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide?
The InChIKey is PCAWDBXDEJVICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-7-15-13(17)16-8-12(9-16)18-11-5-3-10(14)4-6-11/h2-6,12H,1,7-9H2,(H,15,17).
What are the key properties of 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide?
3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-prop-2-enylazetidine-1-carboxamide is sourced from PubChem (CID 2802382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).