N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide

C13H16Cl2N2O3 — CID 108943408

IUPACN'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-20-7-3-6-16-11(18)8-12(19)17-13-9(14)4-2-5-10(13)15/h2,4-5H,3,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyCZGWNLCNOYZGTP-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.47
Rot. Bonds7

About N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide

N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide (PubChem CID 108943408) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
PubChem CID108943408
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC NameN'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2N2O3/c1-20-7-3-6-16-11(18)8-12(19)17-13-9(14)4-2-5-10(13)15/h2,4-5H,3,6-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyCZGWNLCNOYZGTP-UHFFFAOYSA-N
XLogP2.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.47
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

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxypropyl)acetamide
CID 78827820
N'-(2,6-dichlorophenyl)-N-propylpropanediamide
CID 108940761
1-N-(2,6-dichlorophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133253
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
3-(2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 109015481
3-(2,6-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015134
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 112612673
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
CID 113001448

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide (CID 108943408) is N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide is COCCCNC(=O)CC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide?
The InChIKey is CZGWNLCNOYZGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-20-7-3-6-16-11(18)8-12(19)17-13-9(14)4-2-5-10(13)15/h2,4-5H,3,6-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide?
N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide has a molecular weight of 319.19 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-(3-methoxypropyl)propanediamide is sourced from PubChem (CID 108943408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).