1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine

C23H20ClN — CID 143257484

IUPAC1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine
SMILESClc1ccc(C=C2CN(C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C23H20ClN/c24-22-13-11-18(12-14-22)15-19-16-25(17-19)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,23H,16-17H2
InChIKeyNSVKSJVHZJBLDD-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.83
Rot. Bonds4

About 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine

1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine (PubChem CID 143257484) has the molecular formula C23H20ClN and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine
PubChem CID143257484
Molecular FormulaC23H20ClN
Molecular Weight345.87 g/mol
Exact Mass345.13
IUPAC Name1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine
SMILESClc1ccc(C=C2CN(C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C23H20ClN/c24-22-13-11-18(12-14-22)15-19-16-25(17-19)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,23H,16-17H2
InChIKeyNSVKSJVHZJBLDD-UHFFFAOYSA-N
XLogP5.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine?
The IUPAC name of 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine (CID 143257484) is 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine.
What is the SMILES notation for 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine?
The canonical SMILES for 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine is Clc1ccc(C=C2CN(C(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine?
The InChIKey is NSVKSJVHZJBLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN/c24-22-13-11-18(12-14-22)15-19-16-25(17-19)23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-15,23H,16-17H2.
What are the key properties of 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine?
1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine has a molecular weight of 345.87 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[(4-chlorophenyl)methylidene]azetidine is sourced from PubChem (CID 143257484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).