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

C12H14ClF3N2O — CID 146286858

IUPACN-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCc1c(C(F)(F)F)cnc(NC(=O)C(C)(C)C)c1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-6-7(12(14,15)16)5-17-9(8(6)13)18-10(19)11(2,3)4/h5H,1-4H3,(H,17,18,19)
InChIKeyDKWGKIXIPQCXGX-UHFFFAOYSA-N
MW294.70 g/mol
LogP4.05
Rot. Bonds1

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

N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 146286858) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID146286858
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC NameN-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCc1c(C(F)(F)F)cnc(NC(=O)C(C)(C)C)c1Cl
InChIInChI=1S/C12H14ClF3N2O/c1-6-7(12(14,15)16)5-17-9(8(6)13)18-10(19)11(2,3)4/h5H,1-4H3,(H,17,18,19)
InChIKeyDKWGKIXIPQCXGX-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 54.05
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?
The IUPAC name of N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 146286858) is N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide is 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?
The InChIKey is DKWGKIXIPQCXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-6-7(12(14,15)16)5-17-9(8(6)13)18-10(19)11(2,3)4/h5H,1-4H3,(H,17,18,19).
What are the key properties of N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-chloro-4-methyl-5-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 294.70 g/mol, XLogP of 4.05, 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 is sourced from PubChem (CID 146286858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).