2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide

C14H15ClN2O2 — CID 80708889

IUPAC2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(Cl)ccc1C#N)C1CC1
InChIInChI=1S/C14H15ClN2O2/c1-2-17(12-5-6-12)14(18)9-19-13-7-11(15)4-3-10(13)8-16/h3-4,7,12H,2,5-6,9H2,1H3
InChIKeyZQIDJUGRRZTMEZ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.60
Rot. Bonds5

About 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide

2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide (PubChem CID 80708889) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
PubChem CID80708889
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1cc(Cl)ccc1C#N)C1CC1
InChIInChI=1S/C14H15ClN2O2/c1-2-17(12-5-6-12)14(18)9-19-13-7-11(15)4-3-10(13)8-16/h3-4,7,12H,2,5-6,9H2,1H3
InChIKeyZQIDJUGRRZTMEZ-UHFFFAOYSA-N
XLogP2.60
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 114322280
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487978
4-chloro-2-ethoxybenzonitrile
CID 22721189
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
4-chloro-2-(3-methyl-2-oxopentoxy)benzonitrile
CID 114323732
2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
CID 80708099
N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790
2-(2-chloro-4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78815113

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide (CID 80708889) is 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1cc(Cl)ccc1C#N)C1CC1.
What is the InChIKey of 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is ZQIDJUGRRZTMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-17(12-5-6-12)14(18)9-19-13-7-11(15)4-3-10(13)8-16/h3-4,7,12H,2,5-6,9H2,1H3.
What are the key properties of 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide?
2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 278.74 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 80708889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).