N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide

C16H14ClFN2O2 — CID 86816888

IUPACN-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14ClFN2O2/c17-13-3-1-2-4-14(13)19-15(21)20-9-16(22,10-20)11-5-7-12(18)8-6-11/h1-8,22H,9-10H2,(H,19,21)
InChIKeyWGRQYGLQTVOXIH-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.21
Rot. Bonds2

About N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide

N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide (PubChem CID 86816888) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide
PubChem CID86816888
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14ClFN2O2/c17-13-3-1-2-4-14(13)19-15(21)20-9-16(22,10-20)11-5-7-12(18)8-6-11/h1-8,22H,9-10H2,(H,19,21)
InChIKeyWGRQYGLQTVOXIH-UHFFFAOYSA-N
XLogP3.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-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 N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide (CID 86816888) is N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide?
The InChIKey is WGRQYGLQTVOXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-13-3-1-2-4-14(13)19-15(21)20-9-16(22,10-20)11-5-7-12(18)8-6-11/h1-8,22H,9-10H2,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide?
N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide has a molecular weight of 320.75 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxamide is sourced from PubChem (CID 86816888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).