N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide

C12H14Cl2N2O3 — CID 108943222

IUPACN'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-19-5-4-15-11(17)7-12(18)16-10-3-2-8(13)6-9(10)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyLQULFEWSRUDZSN-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.08
Rot. Bonds6

About N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide

N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide (PubChem CID 108943222) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
PubChem CID108943222
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC NameN'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
SMILESCOCCNC(=O)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-19-5-4-15-11(17)7-12(18)16-10-3-2-8(13)6-9(10)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyLQULFEWSRUDZSN-UHFFFAOYSA-N
XLogP2.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N'-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944302
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
N-(2,4-dichlorophenyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 55335321
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
N-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955063
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
methyl 4-[[3-(2,4-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956377
N-(2,4-dichlorophenyl)propanamide
CID 923083
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide (CID 108943222) is N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide is COCCNC(=O)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide?
The InChIKey is LQULFEWSRUDZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-19-5-4-15-11(17)7-12(18)16-10-3-2-8(13)6-9(10)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide?
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide has a molecular weight of 305.16 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide is sourced from PubChem (CID 108943222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).