2,2-dichloro-N-(2,4-dichlorophenyl)propanamide

C9H7Cl4NO — CID 521736

IUPAC2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
SMILESCC(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl4NO/c1-9(12,13)8(15)14-7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H,14,15)
InChIKeyLYLOVGGYRYQRNQ-UHFFFAOYSA-N
MW286.97 g/mol
LogP4.13
Rot. Bonds2

About 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide

2,2-dichloro-N-(2,4-dichlorophenyl)propanamide (PubChem CID 521736) has the molecular formula C9H7Cl4NO and a molecular weight of 286.97 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
PubChem CID521736
Molecular FormulaC9H7Cl4NO
Molecular Weight286.97 g/mol
Exact Mass284.93
IUPAC Name2,2-dichloro-N-(2,4-dichlorophenyl)propanamide
SMILESCC(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl4NO/c1-9(12,13)8(15)14-7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H,14,15)
InChIKeyLYLOVGGYRYQRNQ-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.97
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CID 6610958
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958896
N-(4-tert-butyl-2-chlorophenyl)-2,2,2-trichloroacetamide
CID 2781894
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970103
N-(2,4-dichlorophenyl)-4-[2-(2,2-dimethylpropanoyl)hydrazinyl]-4-oxobutanamide
CID 4927502
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959269

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide (CID 521736) is 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide is CC(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is LYLOVGGYRYQRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl4NO/c1-9(12,13)8(15)14-7-3-2-5(10)4-6(7)11/h2-4H,1H3,(H,14,15).
What are the key properties of 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide?
2,2-dichloro-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 286.97 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 521736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).