N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide

C18H18Cl2N2O4 — CID 108951370

IUPACN'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide
SMILESCOc1ccc(OCCNC(=O)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O4/c1-25-15-2-4-16(5-3-15)26-7-6-21-17(23)11-18(24)22-14-9-12(19)8-13(20)10-14/h2-5,8-10H,6-7,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyPOGYJQVITZHOIM-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.53
Rot. Bonds8

About N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide

N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide (PubChem CID 108951370) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide
PubChem CID108951370
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC NameN'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide
SMILESCOc1ccc(OCCNC(=O)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C18H18Cl2N2O4/c1-25-15-2-4-16(5-3-15)26-7-6-21-17(23)11-18(24)22-14-9-12(19)8-13(20)10-14/h2-5,8-10H,6-7,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyPOGYJQVITZHOIM-UHFFFAOYSA-N
XLogP3.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005237
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 8935879
3-(3,5-dichloroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039656
N-[2-(4-methoxyphenoxy)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108951318
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
CID 108882902
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690
3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031081
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide (CID 108951370) is N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide is COc1ccc(OCCNC(=O)CC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide?
The InChIKey is POGYJQVITZHOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-25-15-2-4-16(5-3-15)26-7-6-21-17(23)11-18(24)22-14-9-12(19)8-13(20)10-14/h2-5,8-10H,6-7,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide?
N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide has a molecular weight of 397.26 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanediamide is sourced from PubChem (CID 108951370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).