N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide

C15H10Cl4N2O2 — CID 108956848

IUPACN'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl4N2O2/c16-9-5-4-8(6-12(9)19)20-13(22)7-14(23)21-15-10(17)2-1-3-11(15)18/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyPRCJHTNVXQAXIB-UHFFFAOYSA-N
MW392.07 g/mol
LogP5.27
Rot. Bonds4

About N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide

N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide (PubChem CID 108956848) has the molecular formula C15H10Cl4N2O2 and a molecular weight of 392.07 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
PubChem CID108956848
Molecular FormulaC15H10Cl4N2O2
Molecular Weight392.07 g/mol
Exact Mass389.95
IUPAC NameN'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H10Cl4N2O2/c16-9-5-4-8(6-12(9)19)20-13(22)7-14(23)21-15-10(17)2-1-3-11(15)18/h1-6H,7H2,(H,20,22)(H,21,23)
InChIKeyPRCJHTNVXQAXIB-UHFFFAOYSA-N
XLogP5.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.07
LogP ≤ 55.27
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'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide
CID 108954078
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
1-(2-chloro-6-methylphenyl)-3-(3,4-dichlorophenyl)urea
CID 4224094
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
N-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358474
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide (CID 108956848) is N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide is O=C(CC(=O)Nc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide?
The InChIKey is PRCJHTNVXQAXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4N2O2/c16-9-5-4-8(6-12(9)19)20-13(22)7-14(23)21-15-10(17)2-1-3-11(15)18/h1-6H,7H2,(H,20,22)(H,21,23).
What are the key properties of N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide?
N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide has a molecular weight of 392.07 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-N-(3,4-dichlorophenyl)propanediamide is sourced from PubChem (CID 108956848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).