2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide

C11H13Cl3N2O — CID 15156839

IUPAC2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(Cl)(Cl)Cl)ccn1
InChIInChI=1S/C11H13Cl3N2O/c1-10(2,3)9(17)16-8-6-7(4-5-15-8)11(12,13)14/h4-6H,1-3H3,(H,15,16,17)
InChIKeyQGTPGIYWSOIUOJ-UHFFFAOYSA-N
MW295.60 g/mol
LogP3.89
Rot. Bonds1

About 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide

2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide (PubChem CID 15156839) has the molecular formula C11H13Cl3N2O and a molecular weight of 295.60 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide
PubChem CID15156839
Molecular FormulaC11H13Cl3N2O
Molecular Weight295.60 g/mol
Exact Mass294.01
IUPAC Name2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(Cl)(Cl)Cl)ccn1
InChIInChI=1S/C11H13Cl3N2O/c1-10(2,3)9(17)16-8-6-7(4-5-15-8)11(12,13)14/h4-6H,1-3H3,(H,15,16,17)
InChIKeyQGTPGIYWSOIUOJ-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.60
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[4-(trichloromethyl)-2-pyridinyl]benzamide
CID 15156845
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
CID 170315431
N-[4-(2-methylbutan-2-yl)-2-pyridinyl]acetamide
CID 138525024
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
CID 138020244
N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 58417149
3-amino-N-(4-chloro-2-pyridinyl)-2,2,3-trimethylbutanamide
CID 114052264
N-(4-bromo-2-pyridinyl)-2-methyl-2-phenylpropanamide
CID 102820562
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
3-[4-chloro-6-(2,2-dimethylpropanoylamino)-2-pyridinyl]-N-(4-fluoro-2-pyridinyl)-2,2-dimethylpropanamide
CID 134338971
3-(2-chlorophenyl)-3-[[2-(2,2-dimethylpropanoylamino)pyridine-4-carbonyl]amino]propanoic acid
CID 142770067
N-[4-(7-bromo-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 162687584

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide (CID 15156839) is 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1cc(C(Cl)(Cl)Cl)ccn1.
What is the InChIKey of 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide?
The InChIKey is QGTPGIYWSOIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3N2O/c1-10(2,3)9(17)16-8-6-7(4-5-15-8)11(12,13)14/h4-6H,1-3H3,(H,15,16,17).
What are the key properties of 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide?
2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide has a molecular weight of 295.60 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 15156839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).