2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide

C19H18Cl2N2O2 — CID 55584576

IUPAC2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-12(17-9-6-15(20)10-18(17)21)23(3)19(24)13(2)25-16-7-4-14(11-22)5-8-16/h4-10,12-13H,1-3H3
InChIKeyHVZUEJRRFRSEIN-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.85
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide

2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide (PubChem CID 55584576) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide
PubChem CID55584576
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)N(C)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2/c1-12(17-9-6-15(20)10-18(17)21)23(3)19(24)13(2)25-16-7-4-14(11-22)5-8-16/h4-10,12-13H,1-3H3
InChIKeyHVZUEJRRFRSEIN-UHFFFAOYSA-N
XLogP4.85
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 55584400
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
2-(4-cyanoanilino)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 52732261
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
(4-cyanophenyl) (2R)-2-(4-chlorophenoxy)propanoate
CID 7913075
(2R)-2-(4-cyanophenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]propanamide
CID 9246467
2-(4-cyanophenoxy)-N,N-diethylpropanamide
CID 43083146
N-(5-chloro-2-fluorophenyl)-2-(4-cyanophenoxy)propanamide
CID 16548334
[2-(2,4-dichloroanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984198
2-[2-(4-cyanophenoxy)propanoyl-methylamino]acetic acid
CID 43092177
(2R)-2-(4-cyanophenoxy)-N-methyl-N-phenylpropanamide
CID 40566840
(3-chlorophenyl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7984026

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide (CID 55584576) is 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide is CC(Oc1ccc(C#N)cc1)C(=O)N(C)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide?
The InChIKey is HVZUEJRRFRSEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-12(17-9-6-15(20)10-18(17)21)23(3)19(24)13(2)25-16-7-4-14(11-22)5-8-16/h4-10,12-13H,1-3H3.
What are the key properties of 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide?
2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide has a molecular weight of 377.27 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 55584576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).