N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane

C14H20ClF3N2O — CID 153377745

IUPACN-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane
SMILESCC.Cc1c(C(F)(F)F)cnc(NC(=O)C(C)(C)C)c1Cl
InChIInChI=1S/C12H14ClF3N2O.C2H6/c1-6-7(12(14,15)16)5-17-9(8(6)13)18-10(19)11(2,3)4;1-2/h5H,1-4H3,(H,17,18,19);1-2H3
InChIKeyIKOJQPDULHWHIZ-UHFFFAOYSA-N
MW324.77 g/mol
LogP5.07
Rot. Bonds1

About N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane

N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane (PubChem CID 153377745) has the molecular formula C14H20ClF3N2O and a molecular weight of 324.77 g/mol. Its IUPAC name is N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane.

Molecular Properties

Compound NameN-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane
PubChem CID153377745
Molecular FormulaC14H20ClF3N2O
Molecular Weight324.77 g/mol
Exact Mass324.12
IUPAC NameN-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane
SMILESCC.Cc1c(C(F)(F)F)cnc(NC(=O)C(C)(C)C)c1Cl
InChIInChI=1S/C12H14ClF3N2O.C2H6/c1-6-7(12(14,15)16)5-17-9(8(6)13)18-10(19)11(2,3)4;1-2/h5H,1-4H3,(H,17,18,19);1-2H3
InChIKeyIKOJQPDULHWHIZ-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.77
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane?
The IUPAC name of N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane (CID 153377745) is N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane.
What is the SMILES notation for N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane?
The canonical SMILES for N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane is CC.Cc1c(C(F)(F)F)cnc(NC(=O)C(C)(C)C)c1Cl.
What is the InChIKey of N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane?
The InChIKey is IKOJQPDULHWHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O.C2H6/c1-6-7(12(14,15)16)5-17-9(8(6)13)18-10(19)11(2,3)4;1-2/h5H,1-4H3,(H,17,18,19);1-2H3.
What are the key properties of N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane?
N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane has a molecular weight of 324.77 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;ethane is sourced from PubChem (CID 153377745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).