3-(4-chlorophenyl)azetidine-1-carboxamide

C10H11ClN2O — CID 20744165

IUPAC3-(4-chlorophenyl)azetidine-1-carboxamide
SMILESNC(=O)N1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H11ClN2O/c11-9-3-1-7(2-4-9)8-5-13(6-8)10(12)14/h1-4,8H,5-6H2,(H2,12,14)
InChIKeyGDWRHPQPTSIXPA-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.82
Rot. Bonds1

About 3-(4-chlorophenyl)azetidine-1-carboxamide

3-(4-chlorophenyl)azetidine-1-carboxamide (PubChem CID 20744165) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)azetidine-1-carboxamide
PubChem CID20744165
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-(4-chlorophenyl)azetidine-1-carboxamide
SMILESNC(=O)N1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H11ClN2O/c11-9-3-1-7(2-4-9)8-5-13(6-8)10(12)14/h1-4,8H,5-6H2,(H2,12,14)
InChIKeyGDWRHPQPTSIXPA-UHFFFAOYSA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)azetidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)azetidine-1-carboxamide (CID 20744165) is 3-(4-chlorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)azetidine-1-carboxamide is NC(=O)N1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)azetidine-1-carboxamide?
The InChIKey is GDWRHPQPTSIXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-9-3-1-7(2-4-9)8-5-13(6-8)10(12)14/h1-4,8H,5-6H2,(H2,12,14).
What are the key properties of 3-(4-chlorophenyl)azetidine-1-carboxamide?
3-(4-chlorophenyl)azetidine-1-carboxamide has a molecular weight of 210.66 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 20744165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).