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

C17H15Cl3N2O2 — CID 108949870

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl3N2O2/c18-12-3-1-11(2-4-12)5-6-21-16(23)10-17(24)22-15-8-13(19)7-14(20)9-15/h1-4,7-9H,5-6,10H2,(H,21,23)(H,22,24)
InChIKeyCMRLKGIRGYENAV-UHFFFAOYSA-N
MW385.68 g/mol
LogP4.33
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide (PubChem CID 108949870) has the molecular formula C17H15Cl3N2O2 and a molecular weight of 385.68 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
PubChem CID108949870
Molecular FormulaC17H15Cl3N2O2
Molecular Weight385.68 g/mol
Exact Mass384.02
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl3N2O2/c18-12-3-1-11(2-4-12)5-6-21-16(23)10-17(24)22-15-8-13(19)7-14(20)9-15/h1-4,7-9H,5-6,10H2,(H,21,23)(H,22,24)
InChIKeyCMRLKGIRGYENAV-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.68
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorophenyl)-N-(2-phenylethyl)propanediamide
CID 108947987
N-[2-(4-chlorophenyl)ethyl]-N'-[4-(dimethylamino)phenyl]propanediamide
CID 108949854
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
N-[2-(4-chlorophenyl)ethyl]-N'-(3-methoxyphenyl)propanediamide
CID 108949835
N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
CID 108949880
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide
CID 113001347
N-[2-(4-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814908
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide (CID 108949870) is N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide is O=C(CC(=O)Nc1cc(Cl)cc(Cl)c1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide?
The InChIKey is CMRLKGIRGYENAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O2/c18-12-3-1-11(2-4-12)5-6-21-16(23)10-17(24)22-15-8-13(19)7-14(20)9-15/h1-4,7-9H,5-6,10H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide has a molecular weight of 385.68 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(3,5-dichlorophenyl)propanediamide is sourced from PubChem (CID 108949870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).