3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide

C20H23ClN2O — CID 166618484

IUPAC3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1Cl)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C20H23ClN2O/c21-18-11-5-4-9-17(18)10-6-12-23-19(24)20(14-22-15-20)13-16-7-2-1-3-8-16/h1-5,7-9,11,22H,6,10,12-15H2,(H,23,24)
InChIKeyMXNMLIXZLJWSHA-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.22
Rot. Bonds7

About 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide

3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide (PubChem CID 166618484) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide
PubChem CID166618484
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1Cl)C1(Cc2ccccc2)CNC1
InChIInChI=1S/C20H23ClN2O/c21-18-11-5-4-9-17(18)10-6-12-23-19(24)20(14-22-15-20)13-16-7-2-1-3-8-16/h1-5,7-9,11,22H,6,10,12-15H2,(H,23,24)
InChIKeyMXNMLIXZLJWSHA-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide?
The IUPAC name of 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide (CID 166618484) is 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide?
The canonical SMILES for 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide is O=C(NCCCc1ccccc1Cl)C1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide?
The InChIKey is MXNMLIXZLJWSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-18-11-5-4-9-17(18)10-6-12-23-19(24)20(14-22-15-20)13-16-7-2-1-3-8-16/h1-5,7-9,11,22H,6,10,12-15H2,(H,23,24).
What are the key properties of 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide?
3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[3-(2-chlorophenyl)propyl]azetidine-3-carboxamide is sourced from PubChem (CID 166618484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).