N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide

C18H19ClN2O3 — CID 108949835

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-4-2-3-15(11-16)21-18(23)12-17(22)20-10-9-13-5-7-14(19)8-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyXXFOZAYFROOSKG-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide

N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide (PubChem CID 108949835) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
PubChem CID108949835
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
SMILESCOc1cccc(NC(=O)CC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-4-2-3-15(11-16)21-18(23)12-17(22)20-10-9-13-5-7-14(19)8-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyXXFOZAYFROOSKG-UHFFFAOYSA-N
XLogP3.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 55319130
N'-(3,4-dichlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948741
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
N'-(3-acetylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948719
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 108949870
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide (CID 108949835) is N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide is COc1cccc(NC(=O)CC(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide?
The InChIKey is XXFOZAYFROOSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-16-4-2-3-15(11-16)21-18(23)12-17(22)20-10-9-13-5-7-14(19)8-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide has a molecular weight of 346.81 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide is sourced from PubChem (CID 108949835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).