3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide

C14H19ClN2O3 — CID 23558789

IUPAC3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide
SMILESCC(C)(CO)NC(=O)N1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O3/c1-14(2,9-18)16-13(19)17-7-12(8-17)20-11-5-3-10(15)4-6-11/h3-6,12,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyKNJNBCOQGDCIOB-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.88
Rot. Bonds4

About 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide

3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide (PubChem CID 23558789) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide
PubChem CID23558789
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide
SMILESCC(C)(CO)NC(=O)N1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O3/c1-14(2,9-18)16-13(19)17-7-12(8-17)20-11-5-3-10(15)4-6-11/h3-6,12,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyKNJNBCOQGDCIOB-UHFFFAOYSA-N
XLogP1.88
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide (CID 23558789) is 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide is CC(C)(CO)NC(=O)N1CC(Oc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide?
The InChIKey is KNJNBCOQGDCIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(2,9-18)16-13(19)17-7-12(8-17)20-11-5-3-10(15)4-6-11/h3-6,12,18H,7-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide?
3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23558789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).