2-(5-chloro-2-cyanophenoxy)-N-propylacetamide

C12H13ClN2O2 — CID 80708099

IUPAC2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(Cl)ccc1C#N
InChIInChI=1S/C12H13ClN2O2/c1-2-5-15-12(16)8-17-11-6-10(13)4-3-9(11)7-14/h3-4,6H,2,5,8H2,1H3,(H,15,16)
InChIKeyRPKDUBBKCOZMLF-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.12
Rot. Bonds5

About 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide

2-(5-chloro-2-cyanophenoxy)-N-propylacetamide (PubChem CID 80708099) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
PubChem CID80708099
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(5-chloro-2-cyanophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1cc(Cl)ccc1C#N
InChIInChI=1S/C12H13ClN2O2/c1-2-5-15-12(16)8-17-11-6-10(13)4-3-9(11)7-14/h3-4,6H,2,5,8H2,1H3,(H,15,16)
InChIKeyRPKDUBBKCOZMLF-UHFFFAOYSA-N
XLogP2.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708020
N-benzyl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80712025
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257
2-(4-bromo-2-cyanophenoxy)-N-propylacetamide
CID 80601766
2-(4-amino-2-cyanophenoxy)-N-propylacetamide
CID 61268284
4-chloro-2-(3-methyl-2-oxopentoxy)benzonitrile
CID 114323732
N-(4-bromophenyl)-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80710351
4-chloro-2-ethoxybenzonitrile
CID 22721189
3-(5-chloro-2-cyanophenoxy)propanehydrazide
CID 114324002
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-(4-bromo-2-cyanophenoxy)-N-butylacetamide
CID 80602356
4-chloro-2-[2-(3-chlorophenyl)-2-oxoethoxy]benzonitrile
CID 114323790

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide?
The IUPAC name of 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide (CID 80708099) is 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide is CCCNC(=O)COc1cc(Cl)ccc1C#N.
What is the InChIKey of 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide?
The InChIKey is RPKDUBBKCOZMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-5-15-12(16)8-17-11-6-10(13)4-3-9(11)7-14/h3-4,6H,2,5,8H2,1H3,(H,15,16).
What are the key properties of 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide?
2-(5-chloro-2-cyanophenoxy)-N-propylacetamide has a molecular weight of 252.70 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanophenoxy)-N-propylacetamide is sourced from PubChem (CID 80708099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).