3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide

C14H19ClN2O2 — CID 20744171

IUPAC3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide
SMILESCC(C)(O)CNC(=O)N1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-14(2,19)9-16-13(18)17-7-11(8-17)10-3-5-12(15)6-4-10/h3-6,11,19H,7-9H2,1-2H3,(H,16,18)
InChIKeyXEPUHTUQJOGWND-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.22
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide

3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide (PubChem CID 20744171) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide
PubChem CID20744171
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide
SMILESCC(C)(O)CNC(=O)N1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-14(2,19)9-16-13(18)17-7-11(8-17)10-3-5-12(15)6-4-10/h3-6,11,19H,7-9H2,1-2H3,(H,16,18)
InChIKeyXEPUHTUQJOGWND-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide (CID 20744171) is 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide is CC(C)(O)CNC(=O)N1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide?
The InChIKey is XEPUHTUQJOGWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2,19)9-16-13(18)17-7-11(8-17)10-3-5-12(15)6-4-10/h3-6,11,19H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide?
3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 20744171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).