2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide

C17H15ClN2O2 — CID 8976144

IUPAC2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1ccc(C#N)cc1Cl)c1ccccc1
InChIInChI=1S/C17H15ClN2O2/c1-2-20(14-6-4-3-5-7-14)17(21)12-22-16-9-8-13(11-19)10-15(16)18/h3-10H,2,12H2,1H3
InChIKeyAODHVPNZABGNDQ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.64
Rot. Bonds5

About 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide

2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide (PubChem CID 8976144) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide
PubChem CID8976144
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)COc1ccc(C#N)cc1Cl)c1ccccc1
InChIInChI=1S/C17H15ClN2O2/c1-2-20(14-6-4-3-5-7-14)17(21)12-22-16-9-8-13(11-19)10-15(16)18/h3-10H,2,12H2,1H3
InChIKeyAODHVPNZABGNDQ-UHFFFAOYSA-N
XLogP3.64
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
CID 8975576
(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide
CID 8976826
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8977275
2-(2-chloro-4-cyanophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8977173
3-chloro-4-[2-(2-methylphenyl)-2-oxoethoxy]benzonitrile
CID 60971514
(E)-4-(2-chloro-4-cyanophenoxy)-3-methylbut-2-enoic acid
CID 55236523
2-(2-chloro-4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78815113
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
4-(2-chloro-4-cyanophenoxy)-2-ethylbut-2-enoic acid
CID 77101568
3-chloro-4-(3-oxo-3-phenylpropoxy)benzonitrile
CID 116692131
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide (CID 8976144) is 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide is CCN(C(=O)COc1ccc(C#N)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide?
The InChIKey is AODHVPNZABGNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-20(14-6-4-3-5-7-14)17(21)12-22-16-9-8-13(11-19)10-15(16)18/h3-10H,2,12H2,1H3.
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide?
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide has a molecular weight of 314.77 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 8976144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).