N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide

C15H18ClN3O3 — CID 150769029

IUPACN-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide
SMILESCCOc1c(NC(C)=O)cc(Cl)c(C#N)c1N1CC(OC)C1
InChIInChI=1S/C15H18ClN3O3/c1-4-22-15-13(18-9(2)20)5-12(16)11(6-17)14(15)19-7-10(8-19)21-3/h5,10H,4,7-8H2,1-3H3,(H,18,20)
InChIKeyJZLVMSKFURMSQG-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.40
Rot. Bonds5

About N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide

N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide (PubChem CID 150769029) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide
PubChem CID150769029
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide
SMILESCCOc1c(NC(C)=O)cc(Cl)c(C#N)c1N1CC(OC)C1
InChIInChI=1S/C15H18ClN3O3/c1-4-22-15-13(18-9(2)20)5-12(16)11(6-17)14(15)19-7-10(8-19)21-3/h5,10H,4,7-8H2,1-3H3,(H,18,20)
InChIKeyJZLVMSKFURMSQG-UHFFFAOYSA-N
XLogP2.40
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide (CID 150769029) is N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide is CCOc1c(NC(C)=O)cc(Cl)c(C#N)c1N1CC(OC)C1.
What is the InChIKey of N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide?
The InChIKey is JZLVMSKFURMSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-4-22-15-13(18-9(2)20)5-12(16)11(6-17)14(15)19-7-10(8-19)21-3/h5,10H,4,7-8H2,1-3H3,(H,18,20).
What are the key properties of N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide?
N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide has a molecular weight of 323.78 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-cyano-2-ethoxy-3-(3-methoxyazetidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 150769029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).