3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide

C19H21Cl2NO3 — CID 57098621

IUPAC3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCOc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-3-22(4-2)19(23)11-12-24-15-6-8-16(9-7-15)25-18-10-5-14(20)13-17(18)21/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyRDKLYVYTHKNBJS-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.42
Rot. Bonds8

About 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide

3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide (PubChem CID 57098621) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide
PubChem CID57098621
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCOc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-3-22(4-2)19(23)11-12-24-15-6-8-16(9-7-15)25-18-10-5-14(20)13-17(18)21/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyRDKLYVYTHKNBJS-UHFFFAOYSA-N
XLogP5.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
4-(2,4-dichlorophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]butanamide
CID 55368591
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
CID 67627355
(2,4-dichlorophenyl) 4-(2-methoxyethoxy)benzoate
CID 23012898
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide?
The IUPAC name of 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide (CID 57098621) is 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide?
The canonical SMILES for 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide is CCN(CC)C(=O)CCOc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide?
The InChIKey is RDKLYVYTHKNBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-3-22(4-2)19(23)11-12-24-15-6-8-16(9-7-15)25-18-10-5-14(20)13-17(18)21/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide?
3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide has a molecular weight of 382.29 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide is sourced from PubChem (CID 57098621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).