N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide

C20H20ClN7O2 — CID 155543205

IUPACN-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide
SMILESCN(C)c1ccc(C2C(Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C20H20ClN7O2/c1-26(2)15-10-8-13(9-11-15)18-17(21)20(30)28(18)23-16(29)12-27-19(22-24-25-27)14-6-4-3-5-7-14/h3-11,17-18H,12H2,1-2H3,(H,23,29)
InChIKeyKUYUZPGVOYRGCS-UHFFFAOYSA-N
MW425.88 g/mol
LogP1.63
Rot. Bonds6

About N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide

N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide (PubChem CID 155543205) has the molecular formula C20H20ClN7O2 and a molecular weight of 425.88 g/mol. Its IUPAC name is N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide
PubChem CID155543205
Molecular FormulaC20H20ClN7O2
Molecular Weight425.88 g/mol
Exact Mass425.14
IUPAC NameN-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide
SMILESCN(C)c1ccc(C2C(Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C20H20ClN7O2/c1-26(2)15-10-8-13(9-11-15)18-17(21)20(30)28(18)23-16(29)12-27-19(22-24-25-27)14-6-4-3-5-7-14/h3-11,17-18H,12H2,1-2H3,(H,23,29)
InChIKeyKUYUZPGVOYRGCS-UHFFFAOYSA-N
XLogP1.63
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide?
The IUPAC name of N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide (CID 155543205) is N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide?
The canonical SMILES for N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide is CN(C)c1ccc(C2C(Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1.
What is the InChIKey of N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide?
The InChIKey is KUYUZPGVOYRGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN7O2/c1-26(2)15-10-8-13(9-11-15)18-17(21)20(30)28(18)23-16(29)12-27-19(22-24-25-27)14-6-4-3-5-7-14/h3-11,17-18H,12H2,1-2H3,(H,23,29).
What are the key properties of N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide?
N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide has a molecular weight of 425.88 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]-2-(5-phenyltetrazol-1-yl)acetamide is sourced from PubChem (CID 155543205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).