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

C17H16Cl2N2O2 — CID 108954078

IUPACN'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-11-6-8-12(9-7-11)20-15(22)10-16(23)21-17-13(18)4-3-5-14(17)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLXWGHSPQNGZUAN-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.52
Rot. Bonds5

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

N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide (PubChem CID 108954078) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide
PubChem CID108954078
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide
SMILESCCc1ccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-2-11-6-8-12(9-7-11)20-15(22)10-16(23)21-17-13(18)4-3-5-14(17)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLXWGHSPQNGZUAN-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.52
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-(3,4-dichlorophenyl)propanediamide
CID 108956848
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N'-(2,6-dichlorophenyl)-N-propylpropanediamide
CID 108940761
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596
N'-(3-chloro-2-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 45000329
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide (CID 108954078) is N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide is CCc1ccc(NC(=O)CC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide?
The InChIKey is LXWGHSPQNGZUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-2-11-6-8-12(9-7-11)20-15(22)10-16(23)21-17-13(18)4-3-5-14(17)19/h3-9H,2,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide?
N'-(2,6-dichlorophenyl)-N-(4-ethylphenyl)propanediamide has a molecular weight of 351.23 g/mol, XLogP of 4.52, 5 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-(4-ethylphenyl)propanediamide is sourced from PubChem (CID 108954078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).