2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide

C15H17ClN2O3 — CID 71969791

IUPAC2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2(C#N)CCOCC2)c(Cl)c1
InChIInChI=1S/C15H17ClN2O3/c1-20-12-3-2-11(13(16)9-12)8-14(19)18-15(10-17)4-6-21-7-5-15/h2-3,9H,4-8H2,1H3,(H,18,19)
InChIKeyUHBKIVKZWJJOHJ-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.08
Rot. Bonds4

About 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide

2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide (PubChem CID 71969791) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide
PubChem CID71969791
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2(C#N)CCOCC2)c(Cl)c1
InChIInChI=1S/C15H17ClN2O3/c1-20-12-3-2-11(13(16)9-12)8-14(19)18-15(10-17)4-6-21-7-5-15/h2-3,9H,4-8H2,1H3,(H,18,19)
InChIKeyUHBKIVKZWJJOHJ-UHFFFAOYSA-N
XLogP2.08
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide (CID 71969791) is 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide is COc1ccc(CC(=O)NC2(C#N)CCOCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide?
The InChIKey is UHBKIVKZWJJOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-20-12-3-2-11(13(16)9-12)8-14(19)18-15(10-17)4-6-21-7-5-15/h2-3,9H,4-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide?
2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide has a molecular weight of 308.76 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-(4-cyanooxan-4-yl)acetamide is sourced from PubChem (CID 71969791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).