N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide

C13H15ClN2O2 — CID 80708020

IUPACN-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
SMILESCC(C)(C)NC(=O)COc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H15ClN2O2/c1-13(2,3)16-12(17)8-18-11-6-10(14)5-4-9(11)7-15/h4-6H,8H2,1-3H3,(H,16,17)
InChIKeyFOGVJWHMJXZGCC-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.51
Rot. Bonds3

About N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide

N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide (PubChem CID 80708020) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
PubChem CID80708020
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
SMILESCC(C)(C)NC(=O)COc1cc(Cl)ccc1C#N
InChIInChI=1S/C13H15ClN2O2/c1-13(2,3)16-12(17)8-18-11-6-10(14)5-4-9(11)7-15/h4-6H,8H2,1-3H3,(H,16,17)
InChIKeyFOGVJWHMJXZGCC-UHFFFAOYSA-N
XLogP2.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
CID 80708099
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257
N-(4-bromophenyl)-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80710351
N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80712025
4-chloro-2-(3-methyl-2-oxopentoxy)benzonitrile
CID 114323732
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790
3-(5-chloro-2-cyanophenoxy)propanehydrazide
CID 114324002
4-chloro-2-ethoxybenzonitrile
CID 22721189
4-chloro-2-[2-(4-methylsulfanylphenyl)-2-oxoethoxy]benzonitrile
CID 114323757
4-chloro-2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzonitrile
CID 114323741
5-(5-chloro-2-cyanophenoxy)pentanehydrazide
CID 113277477

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide (CID 80708020) is N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide is CC(C)(C)NC(=O)COc1cc(Cl)ccc1C#N.
What is the InChIKey of N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide?
The InChIKey is FOGVJWHMJXZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-13(2,3)16-12(17)8-18-11-6-10(14)5-4-9(11)7-15/h4-6H,8H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide?
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide has a molecular weight of 266.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide is sourced from PubChem (CID 80708020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).