2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide

C12H13ClN2O2 — CID 8976290

IUPAC2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-8(2)15-12(16)7-17-11-4-3-9(6-14)5-10(11)13/h3-5,8H,7H2,1-2H3,(H,15,16)
InChIKeyZYAFCORFFCPLOC-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide

2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide (PubChem CID 8976290) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
PubChem CID8976290
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-8(2)15-12(16)7-17-11-4-3-9(6-14)5-10(11)13/h3-5,8H,7H2,1-2H3,(H,15,16)
InChIKeyZYAFCORFFCPLOC-UHFFFAOYSA-N
XLogP2.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide
CID 8978141
2-(2-chloro-4-cyanophenoxy)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8977218
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 98750854
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814
N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 8975980
2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8978027
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 139932008
3-(2-chloro-4-cyanophenoxy)-2-methylpropanoic acid
CID 43538064

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide (CID 8976290) is 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide?
The InChIKey is ZYAFCORFFCPLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8(2)15-12(16)7-17-11-4-3-9(6-14)5-10(11)13/h3-5,8H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide?
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide has a molecular weight of 252.70 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 8976290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).