N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide

C20H19N5O2 — CID 75473398

IUPACN-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c26-19(11-21-20(27)16-9-5-2-6-10-16)24-12-17(13-24)25-14-18(22-23-25)15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,21,27)
InChIKeyBPCGGDSIZCWRPI-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.76
Rot. Bonds5

About N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide

N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide (PubChem CID 75473398) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
PubChem CID75473398
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1)c1ccccc1
InChIInChI=1S/C20H19N5O2/c26-19(11-21-20(27)16-9-5-2-6-10-16)24-12-17(13-24)25-14-18(22-23-25)15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,21,27)
InChIKeyBPCGGDSIZCWRPI-UHFFFAOYSA-N
XLogP1.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide (CID 75473398) is N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide?
The InChIKey is BPCGGDSIZCWRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-19(11-21-20(27)16-9-5-2-6-10-16)24-12-17(13-24)25-14-18(22-23-25)15-7-3-1-4-8-15/h1-10,14,17H,11-13H2,(H,21,27).
What are the key properties of N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide?
N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide has a molecular weight of 361.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 75473398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).