3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide

C11H11Cl4NO — CID 63679954

IUPAC3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl4NO/c1-11(2,5-12)10(17)16-9-7(14)3-6(13)4-8(9)15/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyFCLPUKJBFUPXEG-UHFFFAOYSA-N
MW315.03 g/mol
LogP4.85
Rot. Bonds3

About 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide

3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide (PubChem CID 63679954) has the molecular formula C11H11Cl4NO and a molecular weight of 315.03 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
PubChem CID63679954
Molecular FormulaC11H11Cl4NO
Molecular Weight315.03 g/mol
Exact Mass312.96
IUPAC Name3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl4NO/c1-11(2,5-12)10(17)16-9-7(14)3-6(13)4-8(9)15/h3-4H,5H2,1-2H3,(H,16,17)
InChIKeyFCLPUKJBFUPXEG-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.03
LogP ≤ 54.85
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

3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
CID 65264588
3,3,3-trifluoro-2-methyl-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672117
N-(4-bromo-2,6-dimethylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 63681085
2-chloro-3,3,3-trifluoro-N-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)propanamide
CID 71672617
2-hydroxy-2-methyl-3-(2,4,6-trichloroanilino)propanoic acid
CID 104643883
3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
CID 63679947
N-(2-bromo-4-chlorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 81264003
methyl 2,2-dimethyl-3-(2,4,6-trichloroanilino)propanoate
CID 79623311
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
3,5-dichloro-2-[[2-methyl-2-(methylamino)propanoyl]amino]benzoic acid
CID 55122374
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
CID 2748510

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide (CID 63679954) is 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide is CC(C)(CCl)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide?
The InChIKey is FCLPUKJBFUPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl4NO/c1-11(2,5-12)10(17)16-9-7(14)3-6(13)4-8(9)15/h3-4H,5H2,1-2H3,(H,16,17).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide?
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide has a molecular weight of 315.03 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide is sourced from PubChem (CID 63679954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).