N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide

C11H12ClF3N2O — CID 885766

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O/c1-10(2,3)9(18)17-8-7(12)4-6(5-16-8)11(13,14)15/h4-5H,1-3H3,(H,16,17,18)
InChIKeyRINSWVRUQUGXJI-UHFFFAOYSA-N
MW280.68 g/mol
LogP3.74
Rot. Bonds1

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 885766) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID885766
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O/c1-10(2,3)9(18)17-8-7(12)4-6(5-16-8)11(13,14)15/h4-5H,1-3H3,(H,16,17,18)
InChIKeyRINSWVRUQUGXJI-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 885766) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is RINSWVRUQUGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-10(2,3)9(18)17-8-7(12)4-6(5-16-8)11(13,14)15/h4-5H,1-3H3,(H,16,17,18).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 280.68 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 885766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).