(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide

C18H17ClN2O2 — CID 8976826

IUPAC(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-3-21(15-7-5-4-6-8-15)18(22)13(2)23-17-10-9-14(12-20)11-16(17)19/h4-11,13H,3H2,1-2H3/t13-/m1/s1
InChIKeyRDJAKBNWFXOVJK-CYBMUJFWSA-N
MW328.80 g/mol
LogP4.03
Rot. Bonds5

About (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide

(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide (PubChem CID 8976826) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide
PubChem CID8976826
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-3-21(15-7-5-4-6-8-15)18(22)13(2)23-17-10-9-14(12-20)11-16(17)19/h4-11,13H,3H2,1-2H3/t13-/m1/s1
InChIKeyRDJAKBNWFXOVJK-CYBMUJFWSA-N
XLogP4.03
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethyl-N-phenylpropanamide
CID 7865970
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide
CID 8976144
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983913
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
2-(2-chloro-4-cyanophenoxy)-N-methyl-N-phenylacetamide
CID 8975576
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
3-(2-chloro-4-cyanophenoxy)butanoic acid
CID 43536234
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 9384043
N-(2-cyanoethyl)-2-(2,5-dichlorophenoxy)-N-phenylpropanamide
CID 4817772
2-(2-chloro-4-cyanophenoxy)-N-(3-methylbutyl)propanamide
CID 60720963
2-(2,4-dichlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]propanamide
CID 3323443
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide (CID 8976826) is (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide is CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1Cl)c1ccccc1.
What is the InChIKey of (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide?
The InChIKey is RDJAKBNWFXOVJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-3-21(15-7-5-4-6-8-15)18(22)13(2)23-17-10-9-14(12-20)11-16(17)19/h4-11,13H,3H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide?
(2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide has a molecular weight of 328.80 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 8976826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).