2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide

C17H14Cl2N2O2 — CID 8977221

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-11(13-3-5-14(18)6-4-13)21-17(22)10-23-16-7-2-12(9-20)8-15(16)19/h2-8,11H,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyLKKNIZRMWMZNAC-NSHDSACASA-N
MW349.22 g/mol
LogP4.12
Rot. Bonds5

About 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide

2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 8977221) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
PubChem CID8977221
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-11(13-3-5-14(18)6-4-13)21-17(22)10-23-16-7-2-12(9-20)8-15(16)19/h2-8,11H,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyLKKNIZRMWMZNAC-NSHDSACASA-N
XLogP4.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8977218
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
CID 7964571
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7866101
2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide
CID 8978141
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 139932008

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide (CID 8977221) is 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide is C[C@H](NC(=O)COc1ccc(C#N)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is LKKNIZRMWMZNAC-NSHDSACASA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-11(13-3-5-14(18)6-4-13)21-17(22)10-23-16-7-2-12(9-20)8-15(16)19/h2-8,11H,10H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide?
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 349.22 g/mol, XLogP of 4.12, 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-[(1S)-1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 8977221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).