[4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone

C18H15ClN4O — CID 91625226

IUPAC[4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC(n2ccnn2)C1
InChIInChI=1S/C18H15ClN4O/c19-16-3-1-2-15(10-16)13-4-6-14(7-5-13)18(24)22-11-17(12-22)23-9-8-20-21-23/h1-10,17H,11-12H2
InChIKeyLGMDNLTVJAUPQI-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.30
Rot. Bonds3

About [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone

[4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 91625226) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID91625226
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name[4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC(n2ccnn2)C1
InChIInChI=1S/C18H15ClN4O/c19-16-3-1-2-15(10-16)13-4-6-14(7-5-13)18(24)22-11-17(12-22)23-9-8-20-21-23/h1-10,17H,11-12H2
InChIKeyLGMDNLTVJAUPQI-UHFFFAOYSA-N
XLogP3.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 91625226) is [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone is O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CC(n2ccnn2)C1.
What is the InChIKey of [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is LGMDNLTVJAUPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-16-3-1-2-15(10-16)13-4-6-14(7-5-13)18(24)22-11-17(12-22)23-9-8-20-21-23/h1-10,17H,11-12H2.
What are the key properties of [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone?
[4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 338.80 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 91625226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).