2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide

C14H17ClN2O2 — CID 8976737

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9(2)10(3)17-14(18)8-19-13-5-4-11(7-16)6-12(13)15/h4-6,9-10H,8H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyJZBBFPWSCVGWCL-JTQLQIEISA-N
MW280.75 g/mol
LogP2.75
Rot. Bonds5

About 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide

2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide (PubChem CID 8976737) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
PubChem CID8976737
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9(2)10(3)17-14(18)8-19-13-5-4-11(7-16)6-12(13)15/h4-6,9-10H,8H2,1-3H3,(H,17,18)/t10-/m0/s1
InChIKeyJZBBFPWSCVGWCL-JTQLQIEISA-N
XLogP2.75
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide
CID 8978141
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
2-(2-chloro-4-cyanophenoxy)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8977218
N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 8975980
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
2-(2-chloro-4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8978027
N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 139932008
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide (CID 8976737) is 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide is CC(C)[C@H](C)NC(=O)COc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The InChIKey is JZBBFPWSCVGWCL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(2)10(3)17-14(18)8-19-13-5-4-11(7-16)6-12(13)15/h4-6,9-10H,8H2,1-3H3,(H,17,18)/t10-/m0/s1.
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide?
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide has a molecular weight of 280.75 g/mol, XLogP of 2.75, 5 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-[(2S)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 8976737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).