3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide

C13H17ClN2O2 — CID 20744170

IUPAC3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide
SMILESCC(CO)NC(=O)N1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O2/c1-9(8-17)15-13(18)16-6-11(7-16)10-2-4-12(14)5-3-10/h2-5,9,11,17H,6-8H2,1H3,(H,15,18)
InChIKeyKJWDZWFXYUVRNI-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.83
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide

3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide (PubChem CID 20744170) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide
PubChem CID20744170
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide
SMILESCC(CO)NC(=O)N1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O2/c1-9(8-17)15-13(18)16-6-11(7-16)10-2-4-12(14)5-3-10/h2-5,9,11,17H,6-8H2,1H3,(H,15,18)
InChIKeyKJWDZWFXYUVRNI-UHFFFAOYSA-N
XLogP1.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.83
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-(1-hydroxypropan-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide (CID 20744170) is 3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide is CC(CO)NC(=O)N1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide?
The InChIKey is KJWDZWFXYUVRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(8-17)15-13(18)16-6-11(7-16)10-2-4-12(14)5-3-10/h2-5,9,11,17H,6-8H2,1H3,(H,15,18).
What are the key properties of 3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide?
3-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)azetidine-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.83, 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-(1-hydroxypropan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 20744170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).