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

C12H12ClF3N2O — CID 3676173

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H12ClF3N2O/c1-6(11(19)18-8-2-3-8)10-9(13)4-7(5-17-10)12(14,15)16/h4-6,8H,2-3H2,1H3,(H,18,19)
InChIKeyOLWONPZKXXIRTJ-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.14
Rot. Bonds3

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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide (PubChem CID 3676173) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide
PubChem CID3676173
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H12ClF3N2O/c1-6(11(19)18-8-2-3-8)10-9(13)4-7(5-17-10)12(14,15)16/h4-6,8H,2-3H2,1H3,(H,18,19)
InChIKeyOLWONPZKXXIRTJ-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide (CID 3676173) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide?
The InChIKey is OLWONPZKXXIRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c1-6(11(19)18-8-2-3-8)10-9(13)4-7(5-17-10)12(14,15)16/h4-6,8H,2-3H2,1H3,(H,18,19).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide has a molecular weight of 292.69 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 3676173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).