3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide

C12H15ClN2O — CID 167793767

IUPAC3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide
SMILESNC(=O)CCN1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)10-7-15(8-10)6-5-12(14)16/h1-4,10H,5-8H2,(H2,14,16)
InChIKeyYGMKTUSJQKOJKZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.61
Rot. Bonds4

About 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide

3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide (PubChem CID 167793767) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide
PubChem CID167793767
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide
SMILESNC(=O)CCN1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)10-7-15(8-10)6-5-12(14)16/h1-4,10H,5-8H2,(H2,14,16)
InChIKeyYGMKTUSJQKOJKZ-UHFFFAOYSA-N
XLogP1.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide (CID 167793767) is 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide is NC(=O)CCN1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide?
The InChIKey is YGMKTUSJQKOJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-3-1-9(2-4-11)10-7-15(8-10)6-5-12(14)16/h1-4,10H,5-8H2,(H2,14,16).
What are the key properties of 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide?
3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide has a molecular weight of 238.72 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)azetidin-1-yl]propanamide is sourced from PubChem (CID 167793767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).