N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide

C17H15ClN2O2 — CID 7964571

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cccc(C#N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-12(14-5-7-15(18)8-6-14)20-17(21)11-22-16-4-2-3-13(9-16)10-19/h2-9,12H,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNORYALIACMUWEG-LBPRGKRZSA-N
MW314.77 g/mol
LogP3.47
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide (PubChem CID 7964571) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
PubChem CID7964571
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cccc(C#N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-12(14-5-7-15(18)8-6-14)20-17(21)11-22-16-4-2-3-13(9-16)10-19/h2-9,12H,11H2,1H3,(H,20,21)/t12-/m0/s1
InChIKeyNORYALIACMUWEG-LBPRGKRZSA-N
XLogP3.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3-cyanophenoxy)acetamide
CID 8852910
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-cyanophenoxy)acetamide
CID 7503511
N-[1-(4-chlorophenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 42989419
2-(3-cyanophenoxy)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 51286906
2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 99133008
2-(3-cyanophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 9113198
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide (CID 7964571) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide is C[C@H](NC(=O)COc1cccc(C#N)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide?
The InChIKey is NORYALIACMUWEG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12(14-5-7-15(18)8-6-14)20-17(21)11-22-16-4-2-3-13(9-16)10-19/h2-9,12H,11H2,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide has a molecular weight of 314.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3-cyanophenoxy)acetamide is sourced from PubChem (CID 7964571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).